SCHEMBL27537720

SCHEMBL27537720

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]([C]=O)CCCNC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.44
▸ CTSS P25774 6/20 0.44
▸ CTSK P43235 7/20 0.44
▸ CTSB P07858 3/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ CAPN2 P17655 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ PSMB1 P20618 1/20 0.42

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
SCHEMBL27537730 1.00 CTSL (0.44) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL27562471 0.94 CTSL (0.48) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL27559585 0.93 LGMN (0.45) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL27562616 0.88 CTSS (0.53) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL27559457 0.88 CTSS (0.53) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL27559569 0.88 SIRT1 (0.42) SIRT2
SCHEMBL7378138 0.87 CTSL (0.56) CTSLCTSSCTSKCTSB
SCHEMBL7378143 0.87 CTSL (0.56) CTSLCTSSCTSKCTSB
SCHEMBL7171904 0.86 PSMB5 (0.49) CTSLCTSKCTSBCAPN1CAPN2
SCHEMBL9301339 0.85 HTT (0.47) CTSLCTSSCTSKCTSBSIRT2

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
CN-1313863-A Inhibitors of urokinase and angiogenesis CORVAS INTERNAT INC (US) 2001-09-19 — — CN disclosed
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