SCHEMBL11170652

SCHEMBL11170652

CC(C)CCOC(=O)C1OC1C(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.41
▸ CTSL P07711 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CHRNB2 P17787 4/20 0.38
▸ CHRNA4 P43681 4/20 0.38
▸ PPARG P37231 1/20 0.38
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL11180157 0.78 TSHR (0.45) CAPN1CTSLLMNACTSBCTSG
SCHEMBL11184816 0.77 CAPN1 (0.49) CAPN1CTSLLMNACTSBCTSG
SCHEMBL11184819 0.76 CAPN1 (0.40) CAPN1CTSLLMNACTSBCTSG
SCHEMBL9436540 0.73 PPARG (0.39) CAPN1CTSLLMNACTSBCTSG
SCHEMBL9436539 0.73 PPARG (0.39) CAPN1CTSLLMNACTSBCTSG
SCHEMBL11171525 0.72 CAPN1 (0.47) CAPN1CTSLLMNACTSBCTSG
SCHEMBL29307606 0.71 PPARG (0.38) CAPN1CTSLLMNACTSBCTSG
SCHEMBL29018194 0.70 CAPN1 (0.40) CAPN1CTSLLMNACTSBCTSG
SCHEMBL11173757 0.69 CAPN1 (0.57) CAPN1LMNAPPARG
SCHEMBL12701910 0.69 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CA12

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-4387238-A ANTIINFLAMMATORY, HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANTISPASMODIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-06-07 — — US disclosed
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