SCHEMBL6187858

SCHEMBL6187858

O=C(O)CCc1cc(CCCc2ccccc2O)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
CA9 Q16790 2/20 0.41
APAF1 O14727 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 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
SCHEMBL6184802 0.93 PPARD (0.49) TDP1L3MBTL1CASP3PPARDPPARA
SCHEMBL6185970 0.89 CASP3 (0.46) TDP1L3MBTL1CASP3PPARDPPARA
SCHEMBL6182277 0.83 PTGER4 (0.53) TDP1L3MBTL1CASP3
SCHEMBL6185131 0.81 CASP3 (0.52) TDP1L3MBTL1CASP3PPARDPPARA
SCHEMBL6183842 0.81 PPARD (0.58) TDP1L3MBTL1CASP3PPARDPPARA
SCHEMBL6183807 0.80 CASP3 (0.51) TDP1L3MBTL1CASP3PPARDPPARA
SCHEMBL6187276 0.79 HRH1 (0.45) KDM4E
SCHEMBL29018590 0.78 GAA (0.56) TDP1L3MBTL1CASP3KMT2AGAA
SCHEMBL6188166 0.75 PTGER4 (0.52) CASP3
SCHEMBL6185286 0.73 HRH1 (0.46) KDM4E

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