SCHEMBL8165378

SCHEMBL8165378

O=C(O)CN(C(=O)[C@@H](CS)CCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
MLYCD O95822 1/20 0.43
CPA3 P15088 1/20 0.43
FOLH1 Q04609 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
SCHEMBL8167144 1.00 ACE (0.47) ACEMLYCDCPA3FOLH1
SCHEMBL8159707 0.92 ACE (0.50) ACE
SCHEMBL8171167 0.92 ACE (0.50) ACE
SCHEMBL8459593 0.92 ACE (0.50) ACE
SCHEMBL8161868 0.91 ACE (0.41) ACEFOLH1
SCHEMBL8159638 0.91 ACE (0.54) ACE
SCHEMBL8166795 0.90 ACE (0.53) ACE
SCHEMBL8166776 0.90 ACE (0.53) ACE
SCHEMBL8010442 0.89 MMP12 (0.44) ACE
SCHEMBL8026798 0.89 ACE (0.39) ACE

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-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US claimed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed