SCHEMBL6558046

SCHEMBL6558046

CC(C)(Oc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.93
PPARD Q03181 3/20 0.78
FABP2 P12104 2/20 0.78
PPARG P37231 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
ALDH1A1 P00352 2/20 0.78
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
SLC22A12 Q96S37 1/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
EPHX2 P34913 2/20 0.58
NR1H4 Q96RI1 2/20 0.58
RAB9A P51151 2/20 0.58
MAPK14 Q16539 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL9119675 1.00 PPARA (0.93) PPARAPPARDFABP2PPARGSMN1; SMN2
SCHEMBL1304938 0.89 PPARA (0.74) PPARAPPARDFABP2PPARGSMN1; SMN2
SCHEMBL3690900 0.88 PPARA (0.74) PPARAPPARDFABP2PPARGSMN1; SMN2
SCHEMBL9119026 0.88 PPARA (0.74) PPARAPPARDFABP2PPARGSMN1; SMN2
SCHEMBL8269751 0.88 PPARA (0.73) PPARAPPARDFABP2PPARGSMN1; SMN2
Bezafibrate SCHEMBL5077755 0.88 PPARA (1.00) PPARAPPARDFABP2PPARGSMN1; SMN2
Bezafibrate SCHEMBL16299 0.88 PPARA (1.00) PPARAPPARDFABP2PPARGSMN1; SMN2
Bezafibrate SCHEMBL3088387 0.86 PPARA (0.98) PPARAPPARDFABP2PPARGSMN1; SMN2
Bezafibrate SCHEMBL22364278 0.86 PPARA (0.98) PPARAPPARDFABP2PPARGSMN1; SMN2
SCHEMBL9120807 0.86 PPARA (0.71) PPARAPPARDFABP2PPARGSMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 US disclosed
US-5432191-A Ring-substituted phenoxymethyl /or substituted methyl/ carboxylates THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1995-07-11 US disclosed
EP-0585366-A4 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD. CT FOR INNOVATIVE TECHNOLOGY (US) 1994-03-17 EP 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
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