SCHEMBL6180125

SCHEMBL6180125

CC(C)(C)OC(=O)c1cc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3NC(=O)c3ccc(C(C)(C)C)cc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.44
PPARG P37231 7/20 0.43
PPARD Q03181 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
PPARA Q07869 4/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
F10 P00742 1/20 0.40
EPHX2 P34913 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
SCHEMBL7366501 0.94 F10 (0.47) NR1H4PPARGPPARDMMP2MMP13
SCHEMBL7373592 0.88 NR1H4 (0.43) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL6172966 0.87 NR1H4 (0.46) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7370555 0.86 NR1H4 (0.59) NR1H4PPARGPPARDPPARA
SCHEMBL7368037 0.84 HPGD (0.51) NR1H4PPARGPPARDGPBAR1MMP2
SCHEMBL7372132 0.84 NR1H4 (0.43) NR1H4PPARGPPARDPPARAMEN1
SCHEMBL7367092 0.83 NR1H4 (0.46) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7370668 0.82 CSNK2A1 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL6169059 0.81 ESR1 (0.56) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7367665 0.80 RAB9A (0.48) NR1H4PPARGPPARAHPGDMEN1

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-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed