SCHEMBL8449153

SCHEMBL8449153

CCC(c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)N(CC(C)C)C[C@H](CCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.47
MME P08473 6/20 0.47
PTGES O14684 1/20 0.40
MMP3 P08254 4/20 0.39
CPA1 P15085 3/20 0.39
CPA2 P48052 3/20 0.39
CPA4 Q9UI42 3/20 0.39
MMP2 P08253 1/20 0.38
PTGS2 P35354 1/20 0.37
FDFT1 P37268 1/20 0.37

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
SCHEMBL8449905 0.92 MME (0.52) ACEMMEPTGESMMP3CPA1
SCHEMBL8446495 0.91 MME (0.43) ACEMMEPTGESMMP3
SCHEMBL8450045 0.88 ACE (0.43) ACEMMEPTGESMMP3CPA1
SCHEMBL8448666 0.88 MME (0.51) ACEMMEMMP3CPA1MMP2
SCHEMBL8452880 0.87 MME (0.50) ACEMMEMMP3CPA1FDFT1
SCHEMBL8446410 0.86 MME (0.53) ACEMMEPTGESCPA1FDFT1
SCHEMBL8451265 0.86 MME (0.49) ACEMMEPTGESMMP3CPA1
SCHEMBL8451246 0.86 MME (0.47) ACEMMEPTGESMMP3CPA1
SCHEMBL8447179 0.84 MME (0.55) ACEMMEFDFT1
SCHEMBL8450247 0.84 MME (0.47) ACEMMEMMP3CPA1FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed