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SCHEMBL10715808

SCHEMBL10715808

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.44
▸ REN P00797 6/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ CTSS P25774 2/20 0.41
▸ CTSB P07858 4/20 0.41
▸ CTSK P43235 2/20 0.39
▸ CASP1 P29466 1/20 0.37
▸ C5AR1 P21730 1/20 0.37
▸ NMBR P28336 1/20 0.37
▸ PLG P00747 2/20 0.36

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
SCHEMBL10762553 0.86 CTSL (0.45) CTSLRENCASP3CTSSCTSB
SCHEMBL7277008 0.84 REN (0.46) CTSLRENCASP3CTSSCTSB
SCHEMBL7286074 0.83 CTSL (0.42) CTSLRENCASP3CTSSCTSB
SCHEMBL10718613 0.82 CTSL (0.45) CTSLRENCASP3CTSSCTSB
SCHEMBL7303908 0.82 REN (0.49) CTSLRENCASP3CTSBCTSK
SCHEMBL10715893 0.82 REN (0.46) CTSLRENCASP3CTSSCTSB
SCHEMBL7308672 0.82 REN (0.46) CTSLRENCASP3CTSSCTSB
SCHEMBL10718584 0.82 REN (0.46) CTSLRENCASP3CTSSCTSB
SCHEMBL10716091 0.82 REN (0.44) CTSLRENCASP3CTSSCTSB
SCHEMBL10721069 0.81 REN (0.54) CTSLRENCASP3CTSSCTSB

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-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
EP-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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