SCHEMBL7391702

SCHEMBL7391702

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)CN(C(=O)CCCc1ccccc1)[C@@H](CC(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 12/20 0.64
▸ MMP1 P03956 3/20 0.64
▸ CPA1 P15085 1/20 0.51
▸ CPA2 P48052 1/20 0.51
▸ CPA4 Q9UI42 1/20 0.51
▸ MMP2 P08253 3/20 0.50
▸ FKBP1A P62942 1/20 0.41
▸ PLK1 P53350 2/20 0.40
▸ PLK3 Q9H4B4 1/20 0.39
▸ PLK2 Q9NYY3 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LNPEP Q9UIQ6 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
SCHEMBL7401165 0.92 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7401167 0.92 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL8858202 0.89 MMP3 (0.54) MMP3MMP1CPA1CPA2CPA4
SCHEMBL6416221 0.88 MMP3 (0.57) MMP3MMP1CPA1CPA2CPA4
SCHEMBL6416214 0.88 MMP3 (0.57) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7401520 0.82 MMP3 (0.54) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7401524 0.78 MMP3 (0.66) MMP3MMP1MMP2FKBP1A
SCHEMBL7402164 0.78 MMP3 (0.51) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7397723 0.77 KDM4E (0.45) MMP3MMP1MMP2
SCHEMBL7374189 0.77 MMP3 (0.52) MMP3MMP1CPA1CPA2CPA4

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 claimed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 — — WO claimed
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