SCHEMBL7277213

SCHEMBL7277213

COC(=O)C(CC(C)C)CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.44
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ANPEP P15144 2/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39

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
SCHEMBL7286158 0.91 MMP2 (0.48) RENCTSKANPEPERAP1ERAP2
SCHEMBL7284110 0.89 CTSS (0.44) RENCTSSCTSK
SCHEMBL10718485 0.88 CTSS (0.47) RENCTSSCTSK
SCHEMBL7274793 0.85 REN (0.46) RENANPEPERAP1ERAP2MMP2
SCHEMBL7283369 0.84 CTSS (0.40) RENCTSSCTSK
SCHEMBL7277678 0.82 MME (0.48) MMP2MMP9MMP8
SCHEMBL10715871 0.82 CTSS (0.43) RENCTSSCTSK
SCHEMBL7274934 0.81 REN (0.45) RENCTSSCTSKANPEPERAP1
SCHEMBL10718705 0.81 REN (0.46) RENCTSSCTSKANPEPERAP1
SCHEMBL7307303 0.81 CTSS (0.43) RENCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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