SCHEMBL27649629

SCHEMBL27649629

O=C(O)CCCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.66
▸ TACR1 P25103 2/20 0.60
▸ CTSB P07858 3/20 0.59
▸ CTSS P25774 1/20 0.59
▸ CTSK P43235 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.54

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
SCHEMBL6384215 1.00 CTSL (0.66) CTSLTACR1CTSBCTSSCTSK
SCHEMBL8668091 0.89 TACR1 (0.70) CTSLTACR1CTSBCTSSCTSK
SCHEMBL30902878 0.88 MME (0.56) CTSLTACR1CTSBCTSSCTSK
SCHEMBL6383945 0.87 CTSK (0.66) CTSLCTSBCTSSCTSKSIRT5
SCHEMBL27649586 0.87 CTSK (0.55) CTSLCTSBCTSSCTSKSIRT5
SCHEMBL6384766 0.87 CTSK (0.55) CTSLCTSBCTSSCTSKSIRT5
SCHEMBL10397579 0.87 MME (0.67) CTSLTACR1CTSBCTSSCTSK
SCHEMBL31243057 0.85 CTSL (0.57) CTSLCTSSCTSKSIRT5
SCHEMBL31243031 0.85 SIRT2 (0.62) CTSLCTSSCTSKSIRT5
SCHEMBL6278137 0.85 FOLH1 (0.67) CTSLCTSSSIRT5

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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