SCHEMBL9042145

SCHEMBL9042145

CCC(C)(C)C(=O)OCc1cccc(C)c1OCCOc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SYK P43405 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ BACE1 P56817 4/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36

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
SCHEMBL9044919 0.85 L3MBTL1 (0.40) L3MBTL1ITGB3ITGA2BMAPT
SCHEMBL9042223 0.79 FFAR1 (0.39) L3MBTL1
SCHEMBL192406 0.78 CTSS (0.54) SYKCTSSCTSKATM
SCHEMBL192405 0.78 CTSS (0.54) SYKCTSSCTSKATM
SCHEMBL9042766 0.77 PTPRC (0.47) L3MBTL1MAPT
SCHEMBL9042817 0.75 L3MBTL1 (0.40) L3MBTL1MAPT
SCHEMBL23837230 0.75 CTSS (0.60) SYKCTSSCTSKBACE1ATM
SCHEMBL17724519 0.75 CTSS (0.60) SYKCTSSCTSKBACE1ATM
SCHEMBL4689229 0.74 CTSS (0.53) SYKCTSSCTSKATMMAPT
SCHEMBL4689227 0.74 CTSS (0.53) SYKCTSSCTSKATMMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 — — EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 — — US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 — — EP disclosed
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