SCHEMBL9043749

SCHEMBL9043749

CCC(C)(C)C(=O)OCc1cccc(C)c1CCCOc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 4/20 0.45
▸ PTPN1 P18031 4/20 0.45
▸ MAOB P27338 1/20 0.40
▸ PTPN2 P17706 1/20 0.39
▸ PPARA Q07869 2/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL9042899 0.91 MAOB (0.38) PTPRCPTPN1MAOBPPARAPPARG
SCHEMBL9042766 0.88 PTPRC (0.47) PTPRCPTPN1MAOBPTPN2PPARA
SCHEMBL9349826 0.82 PTPRC (0.39) PTPRCPTPN1MAOBPTPN2PPARA
SCHEMBL14015406 0.80 PTPRC (0.49) PTPRCPTPN1PTPN2PPARAPTPRF
SCHEMBL9041671 0.79 PTPRC (0.43) PTPRCPTPN1MAOBPTPN2PPARA
SCHEMBL9043794 0.79 PTPRC (0.43) PTPRCPTPN1MAOBPTPN2PPARA
SCHEMBL9043144 0.79 PTPRC (0.43) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9042165 0.79 PTPRC (0.49) PTPRCPTPN1MAOBPTPN2PPARA
SCHEMBL9042817 0.79 L3MBTL1 (0.40) PTPRCPTPN1MAOBPPARAL3MBTL1
SCHEMBL9042326 0.78 PTPN1 (0.41) PTPRCPTPN1PTPN2PPARAPTPRF

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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