SCHEMBL11780493

SCHEMBL11780493

O=C(NC(Cc1ccc(O)cc1)C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.73
▸ CTSS P25774 2/20 0.64
▸ CTSK P43235 2/20 0.64
▸ GRIA1 P42261 1/20 0.64
▸ KLKB1 P03952 2/20 0.59
▸ CTSB P07858 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KMT2A Q03164 1/20 0.56
▸ ANPEP P15144 1/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ FCER2 P06734 1/20 0.54
▸ P4HB P07237 1/20 0.53
▸ USP30 Q70CQ3 1/20 0.53

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
SCHEMBL14485342 0.92 KLKB1 (0.71) CTSLCTSSCTSKGRIA1KLKB1
SCHEMBL11772567 0.87 CTSL (0.77) CTSLCTSSCTSKGRIA1CTSB
SCHEMBL14485480 0.86 KLKB1 (0.76) CTSLCTSSCTSKKLKB1
SCHEMBL4360734 0.85 CTSL (0.67) CTSLCTSSCTSKGRIA1
SCHEMBL11582248 0.85 CTSL (0.67) CTSLCTSSCTSKGRIA1
SCHEMBL28760302 0.85 CTSL (0.67) CTSLCTSSCTSKGRIA1
SCHEMBL4369236 0.85 CTSL (0.67) CTSLCTSSCTSKGRIA1
SCHEMBL13669589 0.85 CTSL (0.67) CTSLCTSSCTSKGRIA1
SCHEMBL11776777 0.85 L3MBTL1 (0.76) CTSLCTSSCTSKGRIA1CTSB
SCHEMBL6019216 0.85 CTSL (1.00) CTSLCTSSCTSKCTSB

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
US-4004008-A ANTISPASMODIC, VASODILATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1977-01-18 — — US disclosed
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