SCHEMBL7288445

SCHEMBL7288445

O=C(C[C@@H](Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)N1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
DPP4 P27487 7/20 0.37
DPP7 Q9UHL4 3/20 0.36
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TACR1 P25103 1/20 0.33
MEN1 O00255 1/20 0.33
CLPP Q16740 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CTNNB1 P35222 1/20 0.32

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
SCHEMBL7288366 0.92 PPARA (0.38) PPARADPP4KMT2AKDM4EAPOBEC3A
SCHEMBL7291357 0.92 PPARA (0.38) PPARADPP4KMT2AKDM4EAPOBEC3A
SCHEMBL7273674 0.91 DPP4 (0.40) PPARADPP4KMT2AKDM4EMEN1
SCHEMBL7273664 0.91 DPP4 (0.40) PPARADPP4KMT2AKDM4EMEN1
SCHEMBL7287672 0.90 PPARA (0.39) PPARADPP4KMT2AKDM4EAPOBEC3A
SCHEMBL7273286 0.89 MAPT (0.41) PPARAKMT2AKDM4EMEN1
SCHEMBL7292195 0.86 KMT2A (0.39) PPARAKMT2ATACR1MEN1
SCHEMBL7312186 0.83 PPARA (0.42) PPARAKMT2ATACR1CLPPHRH4
SCHEMBL7273333 0.82 CASP1 (0.40) PPARAKMT2AKDM4ETACR1MEN1
SCHEMBL7296207 0.82 PPARA (0.41) PPARAKMT2AKDM4ETACR1MEN1

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