SCHEMBL27562471

SCHEMBL27562471

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.48
▸ CTSS P25774 5/20 0.46
▸ CTSK P43235 3/20 0.44
▸ SIRT5 Q9NXA8 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ GLS O94925 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ CAPN2 P17655 1/20 0.42
▸ TACR1 P25103 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
SCHEMBL27537720 0.94 CTSL (0.44) CTSLCTSSCTSKCTSBSIRT2
SCHEMBL27537730 0.94 CTSL (0.44) CTSLCTSSCTSKCTSBSIRT2
SCHEMBL7378143 0.91 CTSL (0.56) CTSLCTSSCTSKCTSBTACR1
SCHEMBL7378138 0.91 CTSL (0.56) CTSLCTSSCTSKCTSBTACR1
SCHEMBL333826 0.89 HTT (0.47) CTSLCTSSCTSKSIRT5CTSB
SCHEMBL27543265 0.89 HTT (0.47) CTSLCTSSCTSKSIRT5CTSB
SCHEMBL9301339 0.89 HTT (0.47) CTSLCTSSCTSKSIRT5CTSB
SCHEMBL6271116 0.86 CTSL (0.53) CTSLCTSSSIRT5SIRT2TPSAB1
SCHEMBL27559585 0.86 LGMN (0.45) CTSLCTSSCTSKCTSBTPSAB1
SCHEMBL11411256 0.83 CTSL (0.56) CTSLCTSSSIRT5SIRT2PTGER4

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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