SCHEMBL9044253

SCHEMBL9044253

CCC(C)(C)C(=O)OCc1cccc(C)c1OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PTGER4 P35408 2/20 0.36
▸ PTGER3 P43115 2/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SCN8A Q9UQD0 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 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
SCHEMBL9042937 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EGLAL3MBTL1PTGER4
SCHEMBL9042766 0.83 PTPRC (0.47) L3MBTL1MAOBMAPTLMNATSHR
SCHEMBL9042022 0.81 PTPRC (0.37) ALDH1A1KDM4EGLAL3MBTL1PTGER4
SCHEMBL9349875 0.81 CA12 (0.35) ALDH1A1KDM4EGLAL3MBTL1GAA
SCHEMBL9042817 0.81 L3MBTL1 (0.40) ALDH1A1L3MBTL1PTGDR2MAOBMAPT
SCHEMBL9042223 0.79 FFAR1 (0.39) ALDH1A1L3MBTL1KMT2APTGDR2MAOB
SCHEMBL9043779 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EGLAL3MBTL1KMT2A
SCHEMBL12419176 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGLAL3MBTL1HSD17B10
SCHEMBL9044386 0.78 L3MBTL1 (0.39) ALDH1A1L3MBTL1GAAMAOBMAPT
SCHEMBL9043071 0.78 PPARA (0.34) ALDH1A1KDM4EL3MBTL1PTGER4PTGER3

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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