SCHEMBL6530838

SCHEMBL6530838

COc1ccc(CC2SC(=O)NC2=O)cc1CNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
PPARA Q07869 6/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 5/20 0.43
FFAR1 O14842 3/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MPC2 O95563 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6494417 0.89 ALDH1A1 (0.41) PTPN1PPARGFFAR1MAPTALDH1A1
SCHEMBL6497143 0.82 PTPN1 (0.48) PTPN1PPARAPPARGPPARDFFAR1
SCHEMBL6497330 0.80 PTPN1 (0.48) PTPN1PPARGFFAR1CA2KDM4E
SCHEMBL6494478 0.77 PTPN1 (0.47) PTPN1PPARAPPARGPPARDFFAR1
SCHEMBL6496044 0.77 PTPN1 (0.47) PTPN1PPARGFFAR1CA2ALDH1A1
SCHEMBL6494086 0.77 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6374920 0.76 PPARA (0.57) PTPN1PPARAPPARGPPARDFFAR1
SCHEMBL6497873 0.76 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6498702 0.76 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL6506168 0.75 PPARD (0.61) PTPN1PPARAPPARGPPARD

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