SCHEMBL7370668

SCHEMBL7370668

CC(C)(C)OC(=O)c1n[nH]c2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3NC(=O)c3ccc(C(C)(C)C)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.45
NR1H4 Q96RI1 13/20 0.43
PPARG P37231 6/20 0.42
PPARD Q03181 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
PPARA Q07869 4/20 0.40
CHEK1 O14757 1/20 0.40
HPGD P15428 1/20 0.39
MAPK10 P53779 1/20 0.39
F10 P00742 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
SCHEMBL7371060 0.94 F10 (0.46) CSNK2A1NR1H4PPARGTRPV1PPARA
SCHEMBL7367697 0.87 NR1H4 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7373717 0.86 NR1H4 (0.57) NR1H4PPARGPPARDPPARA
SCHEMBL7366476 0.85 HPGD (0.49) CSNK2A1NR1H4PPARGPPARDGPBAR1
SCHEMBL7364651 0.83 NR1H4 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL6180125 0.82 NR1H4 (0.44) NR1H4PPARGPPARDGPBAR1TRPV1
SCHEMBL7365886 0.81 RAB9A (0.47) CSNK2A1NR1H4PPARGPPARAHPGD
SCHEMBL7369363 0.80 TP53 (0.50) NR1H4PPARGPPARA
SCHEMBL7371977 0.79 NR1H4 (0.46) NR1H4PPARGPPARA
SCHEMBL7369592 0.79 NR1H4 (0.50) NR1H4PPARGPPARDGPBAR1PPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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