SCHEMBL9634308

SCHEMBL9634308

COc1cc(C(=O)O)ccc1Cc1cccc2ccc(/C=C(\C)C(=O)OC(C)(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 15/20 0.40
LTB4R Q15722 5/20 0.40
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL9634310 1.00 PLA2G4A (0.40) PLA2G4ALTB4RCYP2C9HIF1ARARA
SCHEMBL9634315 1.00 PLA2G4A (0.40) PLA2G4ALTB4RCYP2C9HIF1ARARA
SCHEMBL9634720 0.92 NQO2 (0.38) MEN1NPC1RAB9AKMT2AAKR1C3
SCHEMBL9634723 0.92 NQO2 (0.38) MEN1NPC1RAB9AKMT2AAKR1C3
SCHEMBL9634713 0.92 NQO2 (0.38) MEN1NPC1RAB9AKMT2AAKR1C3
SCHEMBL9374404 0.82 PLA2G4A (0.48) PLA2G4ALTB4R
SCHEMBL9374408 0.82 PLA2G4A (0.48) PLA2G4ALTB4R
SCHEMBL9374394 0.82 PLA2G4A (0.48) PLA2G4ALTB4R
SCHEMBL9634261 0.81 NQO2 (0.41) PLA2G4ALTB4RMEN1KMT2AAKR1C3
SCHEMBL9634254 0.81 NQO2 (0.41) PLA2G4ALTB4RMEN1KMT2AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed