SCHEMBL7367677

SCHEMBL7367677

Cc1n[nH]c2cc(NC(=O)c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(C(=O)OC(C)(C)C)c12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.54
PPARG P37231 11/20 0.54
PPARA Q07869 7/20 0.54
PPARD Q03181 1/20 0.48
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7368382 0.90 NR1H4 (0.55) NR1H4PPARGPPARAPPARDRXFP1
SCHEMBL7364732 0.83 P2RX1 (0.43) RXFP1NPC1ALDH1A1RAB9A
SCHEMBL7373717 0.81 NR1H4 (0.57) NR1H4PPARGPPARAPPARDTP53
SCHEMBL6171509 0.80 NR1H4 (0.63) NR1H4PPARGPPARAPPARDTP53
SCHEMBL7365270 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GLARAB9AL3MBTL1
SCHEMBL7370555 0.75 NR1H4 (0.59) NR1H4PPARGPPARAPPARDTP53
SCHEMBL6172308 0.74 NR1H4 (0.64) NR1H4PPARGPPARAPPARDRXFP1
SCHEMBL7365516 0.73 FADS1 (0.47) RXFP1NPC1ALDH1A1RAB9A
SCHEMBL7368426 0.73 NPC1 (0.54) NR1H4PPARGPPARAPPARDRXFP1
SCHEMBL5226864 0.72 NR1H4 (0.77) NR1H4PPARGPPARAPPARDTP53

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