SCHEMBL27649586

SCHEMBL27649586

CC(NC(=O)OCc1ccccc1)C(=O)NC(CCCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.55
▸ HTT P42858 1/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.51
▸ FOLH1 Q04609 2/20 0.50
▸ CAPN1 P07384 2/20 0.49
▸ PSMB8 P28062 1/20 0.48
▸ PSMB9 P28065 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ REN P00797 1/20 0.48

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
SCHEMBL6384766 1.00 CTSK (0.55) CTSKHTTCTSLCTSSSIRT5
SCHEMBL6383945 0.89 CTSK (0.66) CTSKCTSLCTSSSIRT5CAPN1
SCHEMBL10035721 0.88 CTSK (0.55) CTSKCTSLCTSSPSMB8PSMB9
SCHEMBL10035700 0.88 CTSK (0.55) CTSKCTSLCTSSPSMB8PSMB9
SCHEMBL6384215 0.87 CTSL (0.66) CTSKCTSLCTSSSIRT5CTSB
SCHEMBL27649629 0.87 CTSL (0.66) CTSKCTSLCTSSSIRT5CTSB
SCHEMBL29372806 0.86 MME (0.61) CTSKFOLH1CAPN1PSMB8PSMB9
SCHEMBL31243057 0.84 CTSL (0.57) CTSKHTTCTSLCTSSSIRT5
SCHEMBL31243031 0.84 SIRT2 (0.62) CTSKHTTCTSLCTSSSIRT5
SCHEMBL9359914 0.84 CTSK (0.60) CTSKCTSLCTSSCAPN1CTSB

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-1911921-A Method for identification of tumor targeting enzymes CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-02-14 — — CN disclosed
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