SCHEMBL9634229

SCHEMBL9634229

COC(=O)c1ccc(Cc2cccc3ccc(CC(C)C(=O)O)cc23)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
PPARD Q03181 3/20 0.43
NQO2 P16083 3/20 0.43
SLC7A5 Q01650 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
PPARG P37231 1/20 0.40
PLA2G4A P47712 3/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 3/20 0.38
FOLH1 Q04609 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TUBB1 Q9H4B7 1/20 0.37
MTNR1B P49286 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL9634237 0.87 MTNR1A (0.43) PPARAPPARDNQO2TRPV1PLA2G4A
SCHEMBL9634320 0.85 CYP1A2 (0.50) NQO2MAPTMTNR1AMTNR1B
SCHEMBL9634970 0.83 NQO2 (0.49) NQO2PLA2G4AMTNR1AMEN1KMT2A
SCHEMBL9633789 0.82 PLA2G4A (0.45) NQO2PLA2G4AMTNR1AMTNR1B
SCHEMBL9373723 0.81 CPT1A (0.46) PPARGPLA2G4A
SCHEMBL9633804 0.80 NQO2 (0.48) NQO2TRPV1PLA2G4AMAPTMTNR1A
SCHEMBL9633886 0.80 MAPT (0.49) NQO2TRPV1PLA2G4AMAPTMTNR1A
SCHEMBL9373055 0.80 PLA2G4A (0.51) PLA2G4A
SCHEMBL9633803 0.79 NQO2 (0.48) NQO2KMT2A
SCHEMBL9633818 0.79 NQO2 (0.42) NQO2MAPTMTNR1AKMT2AMTNR1B

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 3 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
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed