SCHEMBL7303908

SCHEMBL7303908

CC(C)CC(C(=O)O)C(C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.49
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL7308672 0.92 REN (0.46) RENCTSLCTSBCTSKCASP3
SCHEMBL10718613 0.86 CTSL (0.45) RENCTSLCTSBCTSKCASP3
SCHEMBL10718705 0.84 REN (0.46) RENCTSLCTSBCTSKANPEP
SCHEMBL10718460 0.84 REN (0.47) RENCTSLCTSBCTSKANPEP
SCHEMBL7286158 0.84 MMP2 (0.48) RENCTSLCTSBCTSKANPEP
SCHEMBL7283203 0.83 CTSL (0.43) RENCTSLCTSBCASP3
SCHEMBL10716091 0.83 REN (0.44) RENCTSLCTSBCTSKCASP3
SCHEMBL7274934 0.83 REN (0.45) RENCTSLCTSBCTSKANPEP
SCHEMBL7307293 0.82 CTSS (0.44) RENCTSK
SCHEMBL10762553 0.82 CTSL (0.45) RENCTSLCTSBCTSKCASP3

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