SCHEMBL8319912

SCHEMBL8319912

CCOC1C=C(C=Cc2ccccc2)C=CC1(OC(C)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
EGFR P00533 1/20 0.33
RAB9A P51151 1/20 0.33
RELA Q04206 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DHFR P00374 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8319755 0.88 GLA (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10802181 0.68 GLA (0.36) MEN1KMT2AALDH1A1MAPTGLA
SCHEMBL8317209 0.68 MAPT (0.36) ADORA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL10805541 0.67 GLA (0.38) ADORA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3661471 0.66 CMA1 (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL17651157 0.65 GLA (0.34) KMT2AALDH1A1MAPTL3MBTL1GLA
(Z)-1,2-Diphenylethene SCHEMBL28875263 0.65 CTDSP1 (0.59) ADORA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL27844868 0.65 TRPA1 (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
Alcohol SCHEMBL29274513 0.62 L3MBTL1 (0.36) ADORA3MEN1KMT2AKDM4EALDH1A1
(Z)-1,2-Diphenylethene SCHEMBL7706163 0.60 GLA (0.70) ALDH1A1MAPTGLATDP1MAOB

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
US-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed