SCHEMBL7325571

SCHEMBL7325571

CC(C)C[C@H](NC(CCNC(=O)OCc1ccccc1)P(=O)(O)O)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL7328790 0.92 SLC1A3 (0.44) SLC1A3SLC1A1MMEECE1ACE2
SCHEMBL9348204 0.88 ECE1 (0.51) MMEECE1ACE2
SCHEMBL6412346 0.85 CPA1 (0.45) ECE1ACE2
SCHEMBL6917414 0.83 MMP1 (0.41) MMEACE2
SCHEMBL6417816 0.83 ECE1 (0.40) ECE1ACE2
SCHEMBL6412734 0.82 CPA1 (0.39) MMEECE1ACE2
SCHEMBL6414339 0.82 ECE1 (0.39) MMEECE1ACE2
SCHEMBL7316834 0.81 CPA1 (0.40) ECE1ACE2
SCHEMBL7320171 0.80 CPA1 (0.41) MMEECE1ACE2
SCHEMBL7321038 0.79 MMP1 (0.49)

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