SCHEMBL4087542

SCHEMBL4087542

C=C(C)C(=O)c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 4/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HTT P42858 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MYC P01106 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL29061791 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL10533216 0.86 ALDH1A1 (0.43) SMN1; SMN2HPGDALDH1A1CYP2C19
SCHEMBL166603 0.84 HPGD (0.54) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL29425530 0.84 HPGD (0.54) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL12833529 0.83 GPR52 (0.43) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL3629099 0.82 CES2 (0.50) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL22416147 0.81 SMN1; SMN2 (0.42) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL11839724 0.80 CD44 (0.42) SMN1; SMN2HPGDMAOAMAOBALDH1A1
SCHEMBL8864751 0.80 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL9391088 0.79 HPGD (0.50) SMN1; SMN2HPGDERCC5FEN1HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785100-B2 Two-component developer KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-07-22 US claimed
US-20130189612-A1 TWO-COMPONENT DEVELOPER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-07-25 US claimed
EP-1731571-B1 SOLUBILIZER AND COMPOSITION CONTAINING SAME KUREHA CORP (JP) 2014-11-19 EP disclosed
US-8785100-B2 Two-component developer KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-07-22 US disclosed
US-20130189612-A1 TWO-COMPONENT DEVELOPER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-07-25 US disclosed
US-7781519-B2 Solubilizer and composition containing same KUREHA CORPORATION (JP) 2010-08-24 US disclosed
WO-2009048152-A2 UNSATURATED IMINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-16 WO disclosed
US-20070244221-A1 Solubilizer and Composition Containing Same KUREHA CORPORATION (JP) 2007-10-18 US disclosed
US-4013620-A OXIDATION RESISTANCE AMERICAN CYANAMID COMPANY (US) 1977-03-22 US disclosed