SCHEMBL6184802

SCHEMBL6184802

O=C(O)CCc1cc(CCc2ccccc2O)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
CASP3 P42574 1/20 0.47
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
NR1H3 Q13133 1/20 0.43
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL6187858 0.93 TDP1 (0.45) PPARDPPARACASP3CA9ALDH1A1
SCHEMBL6185970 0.92 CASP3 (0.46) PPARDPPARACASP3CA9ALDH1A1
SCHEMBL6183842 0.85 PPARD (0.58) PPARDPPARACASP3CA9ALDH1A1
SCHEMBL6185131 0.83 CASP3 (0.52) PPARDPPARACASP3CA9ALDH1A1
SCHEMBL6183807 0.82 CASP3 (0.51) PPARDPPARACASP3CA9ALDH1A1
SCHEMBL29018590 0.80 GAA (0.56) CASP3CA9ALDH1A1GAAMAPT
SCHEMBL6186189 0.78 HRH1 (0.45) ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL6185121 0.77 ABCB1 (0.49) ALDH1A1GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL6185286 0.77 HRH1 (0.46) KDM4E
SCHEMBL6188166 0.77 PTGER4 (0.52) CASP3FFAR1

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