SCHEMBL9044748

SCHEMBL9044748

O=C(O)C(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.66
FFAR1 O14842 3/20 0.66
PTPRC P08575 4/20 0.59
PTPN1 P18031 4/20 0.59
NR1H4 Q96RI1 1/20 0.57
S1PR1 P21453 3/20 0.57
PTPN2 P17706 1/20 0.57
S1PR3 Q99500 1/20 0.56
S1PR5 Q9H228 1/20 0.56
PTPRF P10586 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PLA2G2A P14555 1/20 0.52
PKM P14618 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL9042056 0.95 FFAR1 (0.65) PLA2G4BFFAR1PTPRCPTPN1NR1H4
SCHEMBL9040124 0.90 FFAR1 (0.64) PLA2G4BFFAR1PTPRCPTPN1PTPN2
SCHEMBL9042067 0.89 PTPRC (0.67) PLA2G4BPTPRCPTPN1PTPN2PTPRF
SCHEMBL2312866 0.87 PLA2G4B (0.83) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL9042859 0.87 PTPRC (0.65) PLA2G4BPTPRCPTPN1PTPN2PTPRF
SCHEMBL9043699 0.87 PTPRC (0.65) PLA2G4BPTPRCPTPN1PTPN2PTPRF
SCHEMBL9041063 0.87 PTPRC (0.65) PLA2G4BPTPRCPTPN1PTPN2PTPRF
SCHEMBL9042501 0.87 PTPRC (0.65) PLA2G4BPTPRCPTPN1PTPN2PTPRF
SCHEMBL9402815 0.87 PTPRC (0.65) PLA2G4BPTPRCPTPN1PTPN2PTPRF
SCHEMBL9042801 0.87 PTPRC (0.53) PLA2G4BFFAR1PTPRCPTPN1NR1H4

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