SCHEMBL9041671

SCHEMBL9041671

CCC(C)(C)C(=O)OCc1cccc(C)c1/C=C/COc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 4/20 0.43
▸ PTPN1 P18031 4/20 0.43
▸ MAOB P27338 4/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPRF P10586 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAOA P21397 2/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ PPARD Q03181 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ PPARG P37231 3/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31

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
SCHEMBL9043794 1.00 PTPRC (0.43) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9041391 0.92 MAOB (0.36) PTPRCPTPN1MAOBKMT2AMAOA
SCHEMBL9041399 0.92 MAOB (0.36) PTPRCPTPN1MAOBKMT2AMAOA
SCHEMBL9042085 0.92 MAOB (0.36) PTPRCPTPN1MAOBKMT2AMAOA
SCHEMBL9042766 0.81 PTPRC (0.47) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9043749 0.79 PTPRC (0.45) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9043144 0.77 PTPRC (0.43) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9349826 0.74 PTPRC (0.39) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9042022 0.73 PTPRC (0.37) PTPRCPTPN1MAOBPTPN2KMT2A
SCHEMBL9042817 0.73 L3MBTL1 (0.40) PTPRCPTPN1MAOBMAOAPPARA

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