SCHEMBL7328781

SCHEMBL7328781

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.50
MMP3 P08254 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49

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
SCHEMBL6416283 0.91 MMP3 (0.52) CAPN1MMP3MMP1MMP2
SCHEMBL6416269 0.91 MMP3 (0.52) CAPN1MMP3MMP1MMP2
SCHEMBL7323533 0.85 MMP1 (0.53) MMP3MMP1MMP2
SCHEMBL7323526 0.85 MMP1 (0.53) MMP3MMP1MMP2
SCHEMBL10349463 0.84 CAPN1 (0.53) CAPN1MMP3MMP1MMP2
SCHEMBL7323409 0.83 MMP1 (0.51) MMP3MMP1MMP2
SCHEMBL10349211 0.83 CAPN1 (0.52) CAPN1MMP3MMP1MMP2
SCHEMBL7326661 0.82 MMP1 (0.50) MMP3MMP1MMP2
SCHEMBL7326667 0.82 MMP1 (0.50) MMP3MMP1MMP2
SCHEMBL7321454 0.82 MMP1 (0.50) MMP3MMP1MMP2

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