SCHEMBL9634158

SCHEMBL9634158

COc1cc(C(=O)O)ccc1Cc1cccc2ccc(CCCC(=O)N3CCOCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
FKBP1A P62942 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
PLA2G4A P47712 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9633717 0.92 KMT2A (0.46) KMT2AFKBP1AHTTALDH1A1MTNR1A
SCHEMBL9633847 0.85 EPHX2 (0.47)
SCHEMBL9633121 0.81 PLA2G4A (0.42) KMT2APLA2G4AMTNR1AMTNR1B
SCHEMBL9634189 0.80 PLA2G4A (0.41) KMT2APLA2G4AMTNR1AMTNR1B
SCHEMBL9634171 0.78 PLA2G4A (0.53) HTTPLA2G4A
SCHEMBL9634320 0.77 CYP1A2 (0.50) ALDH1A1MTNR1AMTNR1B
SCHEMBL9634717 0.73 PLA2G4A (0.51) PLA2G4AMTNR1AMAPK1
SCHEMBL9634970 0.73 NQO2 (0.49) KMT2AMEN1PLA2G4AMTNR1AMTNR1B
SCHEMBL9633818 0.73 NQO2 (0.42) KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL9633707 0.72 KMT2A (0.41) KMT2AALDH1A1MTNR1AMTNR1B

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