SCHEMBL7064840

SCHEMBL7064840

C[C@H](NC(=O)[C@H](CCCC=O)N1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 7/20 0.47
SDC2 P34741 7/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.44

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
SCHEMBL7064833 1.00 SDCBP (0.47) SDCBPSDC2ALDH1A1POLBKDM4E
SCHEMBL8037876 0.89 ALDH1A1 (0.44) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7063363 0.89 ALDH1A1 (0.44) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7063368 0.89 ALDH1A1 (0.44) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7063991 0.86 SDCBP (0.49) SDCBPSDC2ALDH1A1POLBKDM4E
SCHEMBL7063999 0.86 SDCBP (0.49) SDCBPSDC2ALDH1A1POLBKDM4E
SCHEMBL7349201 0.84 ALDH1A1 (0.64) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7349189 0.84 ALDH1A1 (0.64) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL8090711 0.83 ALDH1A1 (0.53) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL8090704 0.83 ALDH1A1 (0.53) ALDH1A1POLBKDM4ETP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728746-B1 Azepinone compounds useful in the inhibition of ACE and NEP BRISTOL MYERS SQUIBB CO (US) 2003-05-28 EP disclosed
US-6143886-A CYCLOPROPYL-SUBSTITUTED AZEPINONE COMPOUNDS WHICH ARE USEFUL EITHER AS SELECTIVE ANGIOTENSIN CONVERTING ENZYME INHIBITORS, OR AS DUAL INHIBITORS OF BOTH ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE BRISTOL-MYERS SQUIBB CO. (US) 2000-11-07 US disclosed
US-5994537-A Process for preparing azepinone compounds useful in the inhibition of ACE and NEP BRISTOL-MYERS SQUIBB CO. (US) 1999-11-30 US disclosed
US-5587375-A TREATING BLOOD PRESSURE, INTRAOCULAR PRESSURE, CARDIOVASCULAR DISORDERS, GLAUCOMA, AND RENAL DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-24 US disclosed
EP-0728746-A1 Azepinone compounds useful in the inhibition of ACE and NEP BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed