SCHEMBL6555955

SCHEMBL6555955

CC(C)(Oc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.71
EPHX2 P34913 2/20 0.64
PPARD Q03181 4/20 0.60
PPARG P37231 4/20 0.60
FABP2 P12104 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
LMNA P02545 1/20 0.54
NR1H4 Q96RI1 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
SLC22A12 Q96S37 1/20 0.50

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
SCHEMBL9120807 0.93 PPARA (0.71) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL6557445 0.89 PPARA (0.69) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL9119675 0.86 PPARA (0.93) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL6558046 0.86 PPARA (0.93) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL1304938 0.85 PPARA (0.74) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL6557473 0.85 PPARA (0.70) PPARAPPARDPPARGFABP2ALDH1A1
SCHEMBL3690900 0.83 PPARA (0.74) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL9119026 0.83 PPARA (0.74) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL8269751 0.82 PPARA (0.73) PPARAEPHX2PPARDPPARGFABP2
SCHEMBL6556153 0.80 PPARA (0.63) PPARAPPARDPPARGFABP2ALDH1A1

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