SCHEMBL7312186

SCHEMBL7312186

O=C(C[C@@H](Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
CLPP Q16740 2/20 0.40
IDH1 O75874 2/20 0.38
PPARG P37231 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
CTNNB1 P35222 2/20 0.37
TCF7 P36402 2/20 0.37
BCL9 O00512 1/20 0.37
TCF4 P15884 1/20 0.37
CREBBP Q92793 1/20 0.37
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
TACR1 P25103 1/20 0.37
PSMB8 P28062 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7290361 0.92 MEN1 (0.46) PPARASIGMAR1HRH4PSMB8KMT2A
SCHEMBL7287579 0.91 PPARA (0.45) PPARACLPPIDH1PPARGHRH4
SCHEMBL7288366 0.85 PPARA (0.38) PPARACLPPSIGMAR1CTNNB1HRH4
SCHEMBL7273339 0.85 CASP1 (0.40) PPARACTNNB1MC4RHRH4TACR1
SCHEMBL7273333 0.85 CASP1 (0.40) PPARACTNNB1MC4RHRH4TACR1
SCHEMBL7296207 0.85 PPARA (0.41) PPARATACR1PSMB8KMT2A
SCHEMBL7291357 0.84 PPARA (0.38) PPARAHRH4TACR1KMT2A
SCHEMBL7273674 0.83 DPP4 (0.40) PPARAKMT2A
SCHEMBL7273664 0.83 DPP4 (0.40) PPARAKMT2A
SCHEMBL7288445 0.83 PPARA (0.37) PPARACLPPSIGMAR1CTNNB1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed