SCHEMBL9138282

SCHEMBL9138282

Cc1c(CC(=O)O)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.59
ALOX5AP P20292 3/20 0.58
PLA2G1B P04054 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.56
CYSLTR1 Q9Y271 2/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
ALOX5 P09917 1/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 1/20 0.53
RGS12 O14924 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL9680113 0.95 ALOX5AP (0.62) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
Water SCHEMBL9140717 0.94 ALOX5AP (0.61) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
Water SCHEMBL9140709 0.94 ALOX5AP (0.61) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
SCHEMBL9140666 0.94 PLA2G2A (0.65) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
SCHEMBL2746925 0.92 ALOX5AP (0.68) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
SCHEMBL9447692 0.92 CYP3A4 (0.64) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
Hydrochloric Acid SCHEMBL9138311 0.92 ALOX5AP (0.67) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
SCHEMBL9447721 0.92 PTGS2 (0.64) PLA2G2AALOX5APPLA2G1BPTGDR2PTGS2
Water SCHEMBL9146626 0.91 CYP3A4 (0.63) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4
Water SCHEMBL9146635 0.91 CYP3A4 (0.63) PLA2G2AALOX5APPLA2G1BPTGDR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US claimed
EP-0502106-A1 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-09 EP claimed
WO-1991006537-A2 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO claimed
US-5420289-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS AND CYTOPROTECTIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-30 US disclosed
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US disclosed