SCHEMBL9044396

SCHEMBL9044396

O=C(O)C(=O)c1ccc(OCCOc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.72
PTPRC P08575 4/20 0.69
PTPN1 P18031 4/20 0.69
PARP10 Q53GL7 1/20 0.68
MAPT P10636 4/20 0.64
RAB9A P51151 2/20 0.64
PTPN2 P17706 1/20 0.62
PTPRF P10586 1/20 0.61
GAA P10253 1/20 0.56
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.51
PPARA Q07869 1/20 0.51
RECQL P46063 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL9043928 0.95 PKM (0.66) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9046005 0.95 PKM (0.66) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9042971 0.94 PTPRC (0.67) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9042067 0.94 PTPRC (0.67) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9043540 0.94 PTPRC (0.69) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9041063 0.93 PTPRC (0.65) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9042501 0.93 PTPRC (0.65) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9402815 0.93 PTPRC (0.65) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9042859 0.93 PTPRC (0.65) PKMPTPRCPTPN1PARP10MAPT
SCHEMBL9043699 0.93 PTPRC (0.65) PKMPTPRCPTPN1PARP10MAPT

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