SCHEMBL6188166

SCHEMBL6188166

O=C(O)CCc1cc(CCN2C(=O)c3ccccc3C2=O)cc(Cc2ccccc2OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.52
PTGER3 P43115 8/20 0.52
PTGER1 P34995 7/20 0.52
PTGER2 P43116 7/20 0.52
FFAR1 O14842 5/20 0.46
FFAR4 Q5NUL3 2/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CASP3 P42574 1/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL6182277 0.91 PTGER4 (0.53) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL6187569 0.84 HRH1 (0.53) THRA
SCHEMBL6185970 0.82 CASP3 (0.46) CASP3
SCHEMBL6182314 0.79 TSHR (0.45) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL6186189 0.78 HRH1 (0.45)
SCHEMBL6184768 0.78 TSHR (0.44) PTGER4PTGER3PTGER1PTGER2FFAR4
SCHEMBL6185286 0.77 HRH1 (0.46)
SCHEMBL6185131 0.77 CASP3 (0.52) CASP3
SCHEMBL6184802 0.77 PPARD (0.49) FFAR1CASP3
SCHEMBL6185364 0.77 KDM4E (0.46)

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-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP disclosed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed