SCHEMBL6890191

SCHEMBL6890191

CC(=O)OOCc1c2ccccc2cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
HTR2A P28223 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR35 Q9HC97 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
EDNRA P25101 1/20 0.39
NCEH1 Q6PIU2 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL6244825 0.85 KDM4E (0.47) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL2222008 0.83 EPHX1 (0.54) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL31326117 0.83 EPHX1 (0.54) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL14277073 0.75 EPHX1 (0.56) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL29625710 0.74 EPHX1 (0.49) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL216321 0.74 EPHX1 (0.49) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL28005687 0.74 EPHX1 (0.52) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
Anthracene SCHEMBL5604192 0.73 KDM4E (0.44) ALDH1A1MEN1HPGDKMT2AKDM4E
SCHEMBL9608689 0.73 EPHX1 (0.51) EPHX1HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL4809140 0.73 EPHX1 (0.51) EPHX1HTR2AL3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018543-A1 Method for immobilising and/or crystallising biological macromolecules on carbon nanotubes and uses COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-01-29 US disclosed
US-6656712-B1 Incubating with a solution of proteins and a alcoholic solvent; biosensors COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-12-02 US disclosed