SCHEMBL28014131

SCHEMBL28014131

CCCCCCCCCCCCCCCCCCCCc1[c]ccc(-c2ccccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTR7 P34969 5/20 0.41
PPARA Q07869 1/20 0.41
ICMT O60725 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HTR5A P47898 2/20 0.38
HTR1B P28222 1/20 0.38
ELANE P08246 1/20 0.38
CHEK1 O14757 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL8913076 0.83 HTR7 (0.46) HTR7PTPRCPTPN1CHEK1
SCHEMBL4439914 0.81 PTPN11 (0.42) CNR1CNR2HTR7ICMTPTPRC
SCHEMBL1940072 0.80 PTGS2 (0.37) ALOX5PTGS2HTR2AKDM4EMEN1
SCHEMBL15637637 0.74 PTPRC (0.47) HTR7PTPRCPTPN1CHEK1KDM4E
SCHEMBL10654609 0.72 HPGD (0.44) HTR7PTPRCPTPN1CHEK1KDM4E
SCHEMBL462206 0.72 PTGS2 (0.42) ALOX5PTGS2HTR2A
SCHEMBL1370037 0.72 HSD11B1 (0.37) CNR1CNR2KDM4EMEN1ALDH1A1
SCHEMBL4608554 0.72 PTPRC (0.49) HTR7PTPRCPTPN1CHEK1ALDH1A1
SCHEMBL10553504 0.71 PTPRC (0.47) HTR7PTPRCPTPN1CHEK1
SCHEMBL27588618 0.71 PTPRC (0.47) HTR7PTPRCPTPN1CHEK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101351424-B Catalytic process for the oligomerization of olefinic monomers SHELL INT RESEARCH 2015-05-20 CN disclosed