SCHEMBL7679573

SCHEMBL7679573

O=C(O)C(=O)c1cn(Cc2ccc(Cc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 8/20 0.59
PLA2G2A P14555 1/20 0.59
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL3203412 0.96 SERPINE1 (0.64) SERPINE1PLA2G2APPARGPPARDPPARA
SCHEMBL3386836 0.86 LTB4R (0.66) SERPINE1PLA2G2APPARGPPARDPPARA
SCHEMBL5894096 0.84 PLA2G2A (0.56) SERPINE1PLA2G2APPARGPPARDPPARA
SCHEMBL7679894 0.82 LTB4R (0.51) PLA2G2APPARGPPARDPPARALMNA
SCHEMBL7680496 0.80 SERPINE1 (0.54) SERPINE1PLA2G2APPARGPPARDPPARA
SCHEMBL3206115 0.78 PLA2G2A (0.57) SERPINE1PLA2G2APPARDTHRB
SCHEMBL6353598 0.78 PPARD (0.54) PLA2G2APPARGPPARDPPARALMNA
SCHEMBL27751714 0.78 PPARD (0.54) PLA2G2APPARGPPARDPPARALMNA
SCHEMBL9023153 0.77 LTB4R (0.63) PPARGPPARDPPARALMNAALDH1A1
SCHEMBL4942305 0.77 SERPINE1 (0.81) SERPINE1PLA2G2ALMNAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310706-A Phospholipase inhibitors GENETICS INST (US) 2001-08-29 CN claimed
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 EP claimed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 WO claimed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 US disclosed