SCHEMBL7429252

SCHEMBL7429252

CC(=O)CC(S)(C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.55
ACE P12821 6/20 0.52
ACE2 Q9BYF1 4/20 0.52
CPA1 P15085 3/20 0.52
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
LTA4H P09960 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6421402 0.92 MMP1 (0.55) MMEMMP2MMP7MMP9MMP12
SCHEMBL8763014 0.85 MME (0.50) MMEACEACE2CPA1MMP2
SCHEMBL15692334 0.80 MME (0.65) MMEACEACE2CPA1MMP2
SCHEMBL30777486 0.80 MME (0.65) MMEACEACE2CPA1MMP2
SCHEMBL7365144 0.79 ACE (0.73) MMEACEACE2CPA1MMP2
SCHEMBL15649671 0.79 MME (0.67) MMEACEACE2CPA1MMP2
SCHEMBL15692372 0.79 MME (0.67) MMEACEACE2CPA1MMP2
SCHEMBL8005905 0.78 MME (0.87) MMEACEACE2CPA1MMP2
SCHEMBL30051692 0.78 LTA4H (0.67) MMEACEACE2CPA1MMP2
SCHEMBL8005357 0.77 MME (0.65) MMEACEACE2CPA1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP claimed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed