SCHEMBL8799445

SCHEMBL8799445

Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC(C=C1CSCN1)=C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.45
PPARA Q07869 13/20 0.45
KDR P35968 1/20 0.44
FFAR1 O14842 1/20 0.41
MAPT P10636 3/20 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
SCHEMBL8799441 1.00 PPARG (0.45) PPARGPPARAKDRFFAR1MAPT
SCHEMBL8341031 0.84 PPARG (0.54) PPARGPPARAKDRFFAR1MAPT
SCHEMBL6973022 0.82 PPARG (0.47) PPARGPPARAKDRFFAR1MAPT
SCHEMBL8337047 0.82 PPARG (0.47) PPARGPPARAKDRFFAR1MAPT
SCHEMBL8336444 0.81 PPARG (0.46) PPARGPPARAKDRFFAR1MAPT
SCHEMBL8340189 0.78 KDR (0.60) PPARGPPARAKDRFFAR1MAPT
SCHEMBL10367831 0.74 PPARG (0.58) PPARGPPARA
SCHEMBL10367830 0.74 PPARG (0.58) PPARGPPARA
SCHEMBL6970831 0.74 PPARG (0.56) PPARGPPARAKDRFFAR1MAPT
SCHEMBL5015238 0.68 KDR (0.55) PPARGPPARAKDRFFAR1MAPT

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-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed