SCHEMBL7316834

SCHEMBL7316834

CC(C)C[C@H](NC(CCc1ccccc1O)P(=O)(O)O)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.40
CPA2 P48052 3/20 0.40
CPA4 Q9UI42 3/20 0.40
ECE1 P42892 8/20 0.40
ERAP2 Q6P179 6/20 0.39
ERAP1 Q9NZ08 6/20 0.39
LNPEP Q9UIQ6 4/20 0.39
CPB1 P15086 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
IL1RN P18510 2/20 0.36

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
SCHEMBL6412346 0.93 CPA1 (0.45) CPA1CPA2CPA4ECE1ERAP2
SCHEMBL6917414 0.85 MMP1 (0.41) CPA1CPA2CPA4CPB1ACE2
SCHEMBL6417816 0.85 ECE1 (0.40) CPA1CPA2CPA4ECE1CPB1
SCHEMBL6412734 0.84 CPA1 (0.39) CPA1CPA2CPA4ECE1ERAP2
SCHEMBL6414339 0.84 ECE1 (0.39) CPA1CPA2CPA4ECE1ERAP2
SCHEMBL7320171 0.82 CPA1 (0.41) CPA1CPA2CPA4ECE1ERAP2
SCHEMBL7321038 0.81 MMP1 (0.49)
SCHEMBL7325571 0.81 SLC1A3 (0.45) ECE1ACE2
SCHEMBL7324109 0.80 CPA1 (0.39) CPA1CPA2CPA4ECE1ERAP2
SCHEMBL27542505 0.80 CPA1 (0.46) CPA1CPA2CPA4ECE1ERAP2

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
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO disclosed