SCHEMBL6498084

SCHEMBL6498084

COc1ccc(CC2SC(=O)NC2=O)cc1CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
PPARG P37231 8/20 0.53
PTPN1 P18031 2/20 0.52
CA2 P00918 1/20 0.51
CYP3A4 P08684 2/20 0.48
RXRA P19793 1/20 0.48
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
PPARA Q07869 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6497355 0.84 PPARG (0.54) FFAR1PPARGPTPN1CA2MPC2
SCHEMBL21504828 0.83 FFAR1 (0.68) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL6506168 0.81 PPARD (0.61) PPARGPTPN1PPARA
SCHEMBL21504844 0.81 FFAR1 (0.59) FFAR1PPARGCA2CYP3A4RXRA
SCHEMBL6234889 0.80 PPARA (0.58) FFAR1PPARGPTPN1CA2PPARA
SCHEMBL6497716 0.79 PTPN1 (0.52) FFAR1PPARGPTPN1CA2MPC2
SCHEMBL6232308 0.79 PPARG (0.56) FFAR1PPARGPTPN1CA2MPC2
SCHEMBL14262592 0.77 PTPN1 (0.59) FFAR1PPARGPTPN1CA2CYP3A4
SCHEMBL12515223 0.77 FFAR1 (0.66) FFAR1PPARGCYP3A4RXRAMPC2
SCHEMBL6502439 0.77 PPARD (0.61) PPARGPTPN1PPARA

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