SCHEMBL7401165

SCHEMBL7401165

COP(=O)(CN(C(=O)CCCc1ccccc1)[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.58
MMP1 P03956 3/20 0.58
MMP2 P08253 3/20 0.47
CPA1 P15085 1/20 0.45
CPA2 P48052 1/20 0.45
CPA4 Q9UI42 1/20 0.45
FKBP1A P62942 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
REN P00797 1/20 0.38
PLK1 P53350 2/20 0.38
PLK3 Q9H4B4 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
FKBP4 Q02790 1/20 0.38

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
SCHEMBL7401167 1.00 MMP3 (0.58) MMP3MMP1MMP2CPA1CPA2
SCHEMBL7391702 0.92 MMP3 (0.64) MMP3MMP1MMP2CPA1CPA2
SCHEMBL8858202 0.87 MMP3 (0.54) MMP3MMP1MMP2CPA1CPA2
SCHEMBL7402164 0.83 MMP3 (0.51) MMP3MMP1MMP2CPA1CPA2
SCHEMBL7397723 0.82 KDM4E (0.45) MMP3MMP1MMP2
SCHEMBL6416214 0.80 MMP3 (0.57) MMP3MMP1MMP2CPA1CPA2
SCHEMBL6416221 0.80 MMP3 (0.57) MMP3MMP1MMP2CPA1CPA2
SCHEMBL7401520 0.78 MMP3 (0.54) MMP3MMP1MMP2CPA1CPA2
SCHEMBL7402167 0.77 MMP3 (0.59) MMP3MMP1MMP2FKBP1AMEN1
SCHEMBL7397726 0.77 MMP3 (0.50) MMP3MMP1MMP2FKBP1AMEN1

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-0623143-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO. INC. (US) 1994-11-09 EP disclosed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 WO disclosed