SCHEMBL7398560

SCHEMBL7398560

CO[P@](=O)(CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C[C@H](CCc1ccccc1)C(=O)N(C(=O)[C@@H](N)CC(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 10/20 0.54
▸ MMP1 P03956 3/20 0.51
▸ CPA1 P15085 1/20 0.48
▸ CPA2 P48052 1/20 0.48
▸ CPA4 Q9UI42 1/20 0.48
▸ MMP2 P08253 3/20 0.48
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ PLK1 P53350 2/20 0.36
▸ PLK3 Q9H4B4 1/20 0.36
▸ PLK2 Q9NYY3 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ REN P00797 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL7399623 0.92 MMP3 (0.60) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7391699 0.86 MMP3 (0.69) MMP3MMP1CPA1CPA2CPA4
SCHEMBL8858199 0.85 MMP3 (0.54) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7374189 0.68 MMP3 (0.52) MMP3MMP1CPA1CPA2CPA4
SCHEMBL6203155 0.65 MMP3 (0.75) MMP3MMP1CPA1CPA2CPA4
SCHEMBL11765572 0.65 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL11765562 0.65 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7401167 0.63 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7401165 0.63 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL8104234 0.63 POLB (0.65) CPA1CPA2CPA4

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
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