SCHEMBL9044645

SCHEMBL9044645

Cc1ccc(OCCOc2ccc(C(=O)C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
PTPRC P08575 4/20 0.59
PTPN1 P18031 4/20 0.59
PTPN2 P17706 1/20 0.59
PTPRF P10586 1/20 0.57
NPC1 O15118 3/20 0.57
MAPT P10636 2/20 0.53
PKM P14618 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
RAB9A P51151 1/20 0.51
PARP10 Q53GL7 2/20 0.50
MAOB P27338 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
SCHEMBL9043540 0.91 PTPRC (0.69) L3MBTL1PTPRCPTPN1PTPN2PTPRF
SCHEMBL9042648 0.86 PTPRC (0.59) L3MBTL1PTPRCPTPN1PTPN2PTPRF
SCHEMBL9044800 0.86 CES2 (0.62) L3MBTL1PTPRCPTPN1PTPN2PTPRF
SCHEMBL20148112 0.85 PKM (0.72) L3MBTL1NPC1MAPTPKM
SCHEMBL9044396 0.85 PKM (0.72) L3MBTL1PTPRCPTPN1PTPN2PTPRF
SCHEMBL16917421 0.84 TP53 (0.67) L3MBTL1PTPRCPTPN1PTPN2PTPRF
SCHEMBL9043691 0.83 MAPT (0.59) L3MBTL1NPC1MAPTPKMCES2
SCHEMBL1104323 0.82 CES2 (0.75) NPC1MAPTPKMCES2CES1
SCHEMBL9042412 0.82 PTPRC (0.59) L3MBTL1PTPRCPTPN1PTPN2PTPRF
SCHEMBL9041802 0.82 PTPRC (0.59) L3MBTL1PTPRCPTPN1PTPN2PTPRF

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