SCHEMBL9043183

SCHEMBL9043183

O=C(O)C(=O)c1ccc(OCCCOC2CCCCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PTPRC P08575 4/20 0.48
PTPN1 P18031 4/20 0.48
PTPN2 P17706 1/20 0.48
PTPRF P10586 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
NAAA Q02083 1/20 0.41

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
SCHEMBL9043479 0.93 HPGD (0.49) KMT2AMEN1PTPRCPTPN1PTPN2
SCHEMBL9041961 0.93 HPGD (0.49) KMT2AMEN1PTPRCPTPN1PTPN2
SCHEMBL9041737 0.82 HRH3 (0.52) KMT2AMEN1PTPRCPTPN1PTPN2
SCHEMBL6691345 0.79 KDM4E (0.43) KMT2AMEN1CYSLTR2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6132820 0.79 MEN1 (0.52) KMT2AMEN1CYSLTR2ALDH1A1SMN1; SMN2
SCHEMBL9043802 0.78 MAPT (0.48) KMT2AMEN1KDM4EHPGD
SCHEMBL9042966 0.78 MAPT (0.48) KMT2AMEN1KDM4EHPGD
SCHEMBL9043630 0.78 KMT2A (0.39) KMT2AMEN1PTPRCPTPN1PTPN2
SCHEMBL6693620 0.77 KDM4E (0.44) KMT2AMEN1KDM4EL3MBTL1HPGD
SCHEMBL9042971 0.77 PTPRC (0.67) KMT2AMEN1PTPRCPTPN1PTPN2

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 4 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
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