SCHEMBL7273333

SCHEMBL7273333

O=C(CC(Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.40
PPARA Q07869 1/20 0.38
SLC15A1 P46059 1/20 0.36
MC4R P32245 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
TACR1 P25103 1/20 0.34
HTR2A P28223 5/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CTNNB1 P35222 1/20 0.34

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
SCHEMBL7273339 1.00 CASP1 (0.40) CASP1PPARASLC15A1MC4RPSMB5
SCHEMBL7274947 0.88 SLC15A1 (0.44) PPARASLC15A1NPC1HRH4CYP3A4
SCHEMBL7274942 0.88 SLC15A1 (0.44) PPARASLC15A1NPC1HRH4CYP3A4
SCHEMBL2299084 0.87 IL6ST (0.47) CASP1SLC15A1MC4RPSMB5KDM4E
SCHEMBL2299086 0.87 IL6ST (0.47) CASP1SLC15A1MC4RPSMB5KDM4E
SCHEMBL2299083 0.87 IL6ST (0.47) CASP1SLC15A1MC4RPSMB5KDM4E
SCHEMBL7312186 0.85 PPARA (0.42) PPARAMC4RKMT2AHRH4TACR1
SCHEMBL7296207 0.84 PPARA (0.41) PPARAPSMB5KDM4EKMT2ATACR1
SCHEMBL7288366 0.84 PPARA (0.38) PPARAKDM4EKMT2AHRH4TACR1
SCHEMBL7291357 0.83 PPARA (0.38) PPARAKDM4EKMT2AHRH4TACR1

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 3 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-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed