SCHEMBL29614776

SCHEMBL29614776

CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 16/20 0.53
▸ REN P00797 1/20 0.49
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41

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
SCHEMBL30259423 0.87 CTSD (0.50) CTSDRENOPRM1OPRD1
SCHEMBL31461941 0.87 CTSD (0.43) CTSDOPRM1OPRD1CTSBCTSK
SCHEMBL29506415 0.86 CTSB (0.42) OPRM1OPRD1CTSB
SCHEMBL31461871 0.86 CTSD (0.42) CTSDOPRM1OPRD1CTSBCTSK
SCHEMBL29385432 0.84 CTSD (0.47) CTSDRENOPRM1OPRD1CTSB
SCHEMBL31462012 0.83 BACE1 (0.47) CTSD
SCHEMBL29972781 0.82 CTSD (0.48) CTSDRENOPRM1OPRD1
SCHEMBL29350644 0.82 ALDH1A1 (0.44) CTSDRENOPRM1OPRD1
Gigiltvil SCHEMBL30741431 0.82 CTSD (0.46) CTSDRENCTSBCTSK
SCHEMBL29825003 0.82 ENPEP (0.40) —

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
US-20220160802-A1 METHODS AND COMPOSITIONS FOR PROMOTING HEALTH IN A SUBJECT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2022-05-26 — — US disclosed
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