SCHEMBL7326674

SCHEMBL7326674

COP(=O)(OC)C(CC[S+](C)[O-])N[C@@H](CC(C)C)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.36
ANPEP P15144 1/20 0.35
CPA1 P15085 2/20 0.35
CPA2 P48052 2/20 0.35
CPA4 Q9UI42 2/20 0.35
CPB1 P15086 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
ECE1 P42892 1/20 0.35
LTA4H P09960 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL6412734 0.91 CPA1 (0.39) MMECPA1CPA2CPA4CPB1
SCHEMBL7323541 0.89 ANPEP (0.38) MMEANPEPCPA1CPA2CPA4
SCHEMBL7323423 0.86 TACR3 (0.36) ANPEPLTA4H
SCHEMBL7321472 0.86 CA12 (0.37) MMEANPEPCPA1CPA2CPA4
SCHEMBL7328790 0.83 SLC1A3 (0.44) MMEACE2ECE1
SCHEMBL7322317 0.83 MMP1 (0.47)
SCHEMBL7320171 0.81 CPA1 (0.41) MMEANPEPCPA1CPA2CPA4
SCHEMBL6412346 0.81 CPA1 (0.45) CPA1CPA2CPA4CPB1ACE2
SCHEMBL6917414 0.79 MMP1 (0.41) MMECPA1CPA2CPA4CPB1
SCHEMBL6417816 0.78 ECE1 (0.40) CPA1CPA2CPA4CPB1ACE2

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
EP-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO disclosed