SCHEMBL6558060

SCHEMBL6558060

CC(C)(Oc1ccc(CC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.57
▸ PPARG P37231 4/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RORC P51449 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ FABP2 P12104 2/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ SLC22A12 Q96S37 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6556141 0.89 PPARA (0.61) PPARAPPARGMEN1KMT2ARORC
SCHEMBL6555975 0.85 PPARA (0.69) PPARAPPARGMEN1KMT2ARORC
SCHEMBL6557438 0.85 PPARA (0.69) PPARAPPARGMEN1KMT2ARORC
Efaproxiral SCHEMBL1649963 0.85 PPARA (0.54) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL1304059 0.84 SMN1; SMN2 (0.54) PPARAPPARGMEN1KMT2ARORC
Efaproxiral SCHEMBL3768310 0.84 PPARA (0.52) PPARAPPARGMEN1KMT2ARORC
SCHEMBL6557488 0.83 RAB9A (0.59) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL1305530 0.82 PPARA (0.55) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL6558056 0.81 SMN1; SMN2 (0.58) PPARAPPARGMEN1KMT2ARORC
SCHEMBL806019 0.81 RAB9A (0.68) PPARAPPARGMEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122539-A Allosteric hemoglobin modifiers useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-06-16 — — US claimed
EP-1468680-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2004-10-20 — — EP disclosed
EP-0585366-B1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD UNIV VIRGINIA COMMONWEALTH (US) 2004-04-28 — — EP disclosed
EP-1236711-B1 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood UNIV VIRGINIA COMMONWEALTH (US) 2004-03-03 — — EP disclosed
EP-1236711-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2002-09-04 — — EP disclosed
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 — — US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 — — US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 — — US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 — — US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 — — US disclosed
EP-0585366-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-09 — — EP disclosed
US-5290803-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood THE CENTER OF INNOVATIVE TECHNOLOGY (US) 1994-03-01 — — US disclosed
US-5250701-A 2-(Phthalomidomethylphenoxyalkanoic acid or ester; wound healing agents; antiischemic agents; blood storage; antidepressants; Alzheimer's disease; schizophrenia CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-10-05 — — US disclosed
US-5248785-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-09-28 — — US disclosed
WO-1992020335-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-11-26 — — WO disclosed
EP-0471811-A4 ALLOSTERIC HEMOGLOBIN MODIFIERS — 1992-11-25 — — EP disclosed
US-5122539-A Allosteric hemoglobin modifiers useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-06-16 — — US disclosed
EP-0471811-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS. INNOVATIVE TECH CENTER (US) 1992-02-26 — — EP disclosed
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 — — US disclosed
WO-1991012235-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-08-22 — — WO disclosed
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