SCHEMBL6497355

SCHEMBL6497355

COc1ccc(CC2SC(=O)NC2=O)cc1COCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.54
PTPN1 P18031 2/20 0.53
FFAR1 O14842 5/20 0.51
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 2/20 0.42
MAPT P10636 2/20 0.41
MAOA P21397 2/20 0.41
CISD1 Q9NZ45 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAOB P27338 1/20 0.40
FFAR2 O15552 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL6498084 0.84 FFAR1 (0.56) PPARGPTPN1FFAR1CA2ALDH1A1
SCHEMBL6506168 0.83 PPARD (0.61) PPARGPTPN1PPARAPPARD
SCHEMBL6234889 0.82 PPARA (0.58) PPARGPTPN1FFAR1CA2PPARA
SCHEMBL6497716 0.81 PTPN1 (0.52) PPARGPTPN1FFAR1CA2ALDH1A1
SCHEMBL6232308 0.78 PPARG (0.56) PPARGPTPN1FFAR1CA2ALDH1A1
SCHEMBL6502439 0.78 PPARD (0.61) PPARGPTPN1PPARAPPARD
SCHEMBL6232906 0.78 PPARA (0.57) PPARGPTPN1FFAR1CA2ALDH1A1
SCHEMBL20125593 0.78 PPARA (0.61) PPARGPTPN1PPARAPPARD
SCHEMBL3922 0.78 PPARA (0.61) PPARGPTPN1PPARAPPARD
SCHEMBL14379043 0.78 PPARA (0.61) PPARGPTPN1PPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed