SCHEMBL6971454

SCHEMBL6971454

CC(C)Oc1ccc(CCCCCC2SC(=O)NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
PPARG P37231 7/20 0.43
FFAR1 O14842 4/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
RXRA P19793 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6960171 0.99 GLA (0.44) GLAPPARGFFAR1PPARACYP3A4
SCHEMBL6964713 0.95 GLA (0.45) GLAPPARGFFAR1PPARACYP3A4
SCHEMBL6959460 0.90 GLA (0.47) GLAPPARGFFAR1PPARACYP3A4
SCHEMBL8899380 0.79 MAPT (0.48) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL8341871 0.77 PTPN1 (0.53) PPARGFFAR1ALDH1A1TP53TSHR
SCHEMBL6971459 0.76 POLB (0.40) GLAPPARGPPARAMAPTTSHR
SCHEMBL8793241 0.76 GLA (0.43) GLAPPARGPPARAMAPTMEN1
SCHEMBL8889930 0.74 MAPT (0.49) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL8794891 0.74 GLA (0.44) GLAPPARGMAPTMEN1KMT2A
SCHEMBL6960177 0.74 POLB (0.40) GLAMAPTTSHRPOLBKDM4E

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 5 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
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
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