SCHEMBL5014099

SCHEMBL5014099

O=C(O)C(=Cc1ccccc1)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.55
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.45
AOC2 O75106 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
DAO P14920 1/20 0.45
AKR1C3 P42330 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AKR1C1 Q04828 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1145282 0.83 CYP3A4 (0.53) CYP3A4CYP2C9KMT2AMEN1RECQL
SCHEMBL263163 0.80 CYP3A4 (0.58) CYP3A4CYP2C9KMT2AMEN1RECQL
SCHEMBL4802930 0.78 L3MBTL1 (0.57) CYP3A4CYP2C9KMT2AMEN1KDM4E
SCHEMBL6144649 0.77 CYP3A4 (0.54) CYP3A4CYP2C9KMT2AMEN1RECQL
SCHEMBL5799862 0.77 MAPT (0.56) KMT2AGAAALDH1A1LMNASMN1; SMN2
SCHEMBL7861430 0.76 ALOX15 (0.52) ALOX15KMT2AMEN1GAAAOC2
SCHEMBL10898960 0.76 CYP3A4 (0.53) CYP3A4CYP2C9KMT2AMEN1RECQL
SCHEMBL7861432 0.76 ALOX15 (0.52) ALOX15KMT2AMEN1GAAAOC2
SCHEMBL7101790 0.75 CYP3A4 (0.66) CYP3A4CYP2C9KMT2AMEN1RECQL
SCHEMBL261986 0.75 CYP3A4 (0.66) CYP3A4CYP2C9KMT2AMEN1RECQL

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-3075751-B1 POLYMER CONTAINING CARBOXYL GROUP AND USE THEREOF ASYMCHEM LAB TIANJIN CO LTD (CN) 2019-10-23 EP disclosed
US-8283413-B2 ink-jet ink; improved stability and dispersibility; polymerized hydrophobic acid-functionalized monomer includes 2-(benzyloxycarbonylmethyl)acrylic acid HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-10-09 US disclosed
US-20080182934-A1 Acid-functionalized hydrophobic monomer emulsions, latexes, and associated latexes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-07-31 US disclosed