SCHEMBL27559585

SCHEMBL27559585

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 3/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSS P25774 5/20 0.44
▸ CTSL P07711 4/20 0.44
▸ TPSAB1 Q15661 2/20 0.43
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CTSB P07858 2/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ CAPN2 P17655 1/20 0.43

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
SCHEMBL27562616 0.93 CTSS (0.53) LGMNCTSKCTSSCTSLCTSB
SCHEMBL27559457 0.93 CTSS (0.53) LGMNCTSKCTSSCTSLCTSB
SCHEMBL27537720 0.93 CTSL (0.44) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27537730 0.93 CTSL (0.44) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9301339 0.90 HTT (0.47) CTSKCTSSCTSLCTSB
SCHEMBL333826 0.90 HTT (0.47) CTSKCTSSCTSLCTSB
SCHEMBL27543265 0.90 HTT (0.47) CTSKCTSSCTSLCTSB
SCHEMBL7378143 0.86 CTSL (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7378138 0.86 CTSL (0.56) CTSKCTSSCTSLCTSB
SCHEMBL27562471 0.86 CTSL (0.48) CTSKCTSSCTSLTPSAB1CTSB

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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