SCHEMBL7308672

SCHEMBL7308672

CC(C)C(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 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.46
▸ CTSL P07711 2/20 0.45
▸ CASP3 P42574 1/20 0.42
▸ CTSS P25774 1/20 0.40
▸ CTSB P07858 2/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSE P14091 1/20 0.38
▸ MME P08473 2/20 0.38
▸ ECE1 P42892 2/20 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
SCHEMBL7303908 0.92 REN (0.49) RENCTSLCASP3CTSBCTSK
SCHEMBL7307293 0.91 CTSS (0.44) RENCTSSCTSKCTSE
SCHEMBL10718613 0.87 CTSL (0.45) RENCTSLCASP3CTSSCTSB
SCHEMBL10718460 0.84 REN (0.47) RENCTSLCASP3CTSSCTSB
SCHEMBL10716091 0.84 REN (0.44) RENCTSLCASP3CTSSCTSB
SCHEMBL7283203 0.84 CTSL (0.43) RENCTSLCASP3CTSSCTSB
SCHEMBL7274969 0.83 CTSL (0.45) RENCTSLCASP3CTSSCTSB
SCHEMBL7277678 0.83 MME (0.48) CTSLMMEECE1
SCHEMBL10762553 0.82 CTSL (0.45) RENCTSLCASP3CTSSCTSB
SCHEMBL10715808 0.82 CTSL (0.44) RENCTSLCASP3CTSSCTSB

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 claimed
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