SCHEMBL11776777

SCHEMBL11776777

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

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.76
▸ CTSL P07711 5/20 0.74
▸ GRIA1 P42261 3/20 0.67
▸ CTSS P25774 2/20 0.62
▸ CTSK P43235 2/20 0.62
▸ KMT2A Q03164 1/20 0.57
▸ CTSB P07858 1/20 0.55
▸ CHRND Q07001 6/20 0.53
▸ CHRNA1 P02708 2/20 0.53
▸ CHRNG P07510 2/20 0.53
▸ CHRNB1 P11230 2/20 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
SCHEMBL10543878 0.93 GRIA1 (0.71) L3MBTL1CTSLGRIA1CTSSCTSK
SCHEMBL10543883 0.93 GRIA1 (0.71) L3MBTL1CTSLGRIA1CTSSCTSK
SCHEMBL11796137 0.91 GRIA1 (0.75) L3MBTL1CTSLGRIA1CHRNDCHRNA1
SCHEMBL11772567 0.90 CTSL (0.77) L3MBTL1CTSLGRIA1CTSSCTSK
SCHEMBL6019216 0.85 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL11780493 0.85 CTSL (0.73) L3MBTL1CTSLGRIA1CTSSCTSK
SCHEMBL4651392 0.84 GRIA1 (0.73) L3MBTL1CTSLGRIA1CTSSCTSK
SCHEMBL6020799 0.84 CTSL (0.80) L3MBTL1CTSLGRIA1CTSSCTSK
Alcohol SCHEMBL19231109 0.82 CTSL (0.65) L3MBTL1CTSLGRIA1
SCHEMBL16768854 0.81 CTSL (0.68) L3MBTL1CTSLGRIA1CTSSCTSK

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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