SCHEMBL7367697

SCHEMBL7367697

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.45
PPARG P37231 6/20 0.43
PPARD Q03181 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
PPARA Q07869 4/20 0.42
CHEK1 O14757 1/20 0.41
NAMPT P43490 1/20 0.41
KDR P35968 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
SCHEMBL7364651 0.94 NR1H4 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7373717 0.89 NR1H4 (0.57) NR1H4PPARGPPARDPPARAKDR
SCHEMBL7370668 0.87 CSNK2A1 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7365502 0.87 JAK2 (0.41) NAMPT
SCHEMBL7366476 0.87 HPGD (0.49) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7371060 0.83 F10 (0.46) NR1H4PPARGPPARACHEK1
SCHEMBL7365886 0.83 RAB9A (0.47) NR1H4PPARGPPARA
SCHEMBL7369363 0.82 TP53 (0.50) NR1H4PPARGPPARANAMPTKDR
SCHEMBL7371977 0.81 NR1H4 (0.46) NR1H4PPARGPPARANAMPTKDR
SCHEMBL6172966 0.81 NR1H4 (0.46) 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