SCHEMBL14798554

SCHEMBL14798554

C=CCc1cc(OC)c(O)cc1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
ALOX5 P09917 4/20 0.55
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
AR P10275 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
PTPN1 P18031 10/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CNR2 P34972 1/20 0.44
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL3486415 0.86 ALDH1A1 (0.57) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL31282199 0.83 PTPN1 (0.44) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL28318476 0.81 ALDH1A1 (0.59) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL30666305 0.81 ALDH1A1 (0.59) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL11891612 0.81 PTGS1 (0.55) PTGS1ALOX5ALDH1A1CYP3A4KDM4E
SCHEMBL30880294 0.81 ALOX5 (0.49) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL15269320 0.79 CYP3A4 (0.57) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL27933598 0.78 ALDH1A1 (0.53) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL31490365 0.78 ALDH1A1 (0.53) PTGS1ALOX5ALDH1A1CYP3A4AR
SCHEMBL3959266 0.78 HTT (0.60) PTGS1ALOX5ALDH1A1CYP3A4AR

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
US-9268245-B2 Toner for electrostatic image development KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2016-02-23 US disclosed
US-8722295-B2 Toner for electrostatic image development and production process thereof KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-05-13 US disclosed
US-20130109826-A1 TONER FOR ELECTROSTATIC IMAGE DEVELOPMENT KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-05-02 US disclosed
US-20130078566-A1 TONER FOR ELECTROSTATIC IMAGE DEVELOPMENT AND PRODUCTION PROCESS THEREOF KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-03-28 US disclosed