SCHEMBL8763014

SCHEMBL8763014

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.50
ACE P12821 4/20 0.47
ACE2 Q9BYF1 2/20 0.47
CPA1 P15085 1/20 0.47
MMP1 P03956 2/20 0.47
REN P00797 2/20 0.47
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
CAPN1 P07384 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
SCHEMBL7429252 0.85 MME (0.55) MMEACEACE2CPA1MMP2
SCHEMBL8387195 0.80 MME (0.65) MMEACEACE2CPA1MMP1
SCHEMBL7374244 0.79 MME (0.57) MMEACEACE2CPA1MMP1
SCHEMBL8764745 0.79 ECE1 (0.57) ACEMMP1
SCHEMBL8764113 0.78 MME (0.63) MMEACEACE2CPA1MMP1
SCHEMBL7384919 0.78 MME (0.63) MMEACEACE2CPA1MMP1
SCHEMBL8390537 0.78 MME (0.63) MMEACEACE2CPA1MMP1
SCHEMBL8764190 0.78 MME (0.43) MMEACEACE2CPA1MMP1
SCHEMBL7344017 0.77 MME (0.55) MMEACEACE2CPA1MMP1
SCHEMBL8390276 0.77 MME (0.68) MMEACEACE2CPA1MMP1

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-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP claimed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO claimed