SCHEMBL6973328

SCHEMBL6973328

COc1cc(CCCC2SC(=O)NC2=O)ccc1OCc1nc(-c2ccccc2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
PPARG P37231 6/20 0.44
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PPARA Q07869 5/20 0.39
FFAR1 O14842 3/20 0.39
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL4727180 0.85 PPARG (0.57) PTPN1PPARGPPARAFFAR1MAPT
SCHEMBL6584128 0.84 PPARG (0.62) PPARGMTNR1AMTNR1BPPARAAPP
SCHEMBL6967418 0.84 ALDH1A1 (0.47) PTPN1PPARGMTNR1AMTNR1BPPARA
SCHEMBL8341338 0.83 PPARG (0.41) PPARGMTNR1AMTNR1BPPARAAPP
SCHEMBL8888384 0.83 PPARG (0.44) PPARGMTNR1AMTNR1BPPARAAPP
SCHEMBL6969220 0.81 PTPN1 (0.44) PTPN1PPARGMTNR1AMTNR1BPPARA
SCHEMBL8801421 0.80 PPARG (0.50) PPARGPPARA
SCHEMBL4847898 0.78 NPC1 (0.48) GAAF2RL3MEN1KMT2A
SCHEMBL6960498 0.78 HDAC1 (0.45) PTPN1PPARGMTNR1AMTNR1BAPP
SCHEMBL6973190 0.77 PTPN1 (0.43) PTPN1PPARGMTNR1AMTNR1BAPP

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
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed