SCHEMBL25944979

SCHEMBL25944979

C=C(C)C(=C)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1OC(=O)C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
CFD P00746 1/20 0.36
FFAR1 O14842 1/20 0.35
GAPDH P04406 1/20 0.35
AMY1A P0DUB6 1/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.33
KIF11 P52732 1/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 3/20 0.32
ADORA3 P0DMS8 2/20 0.32
SNCA P37840 1/20 0.32
ADORA2A P29274 1/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL21183111 0.96 CFD (0.38) ERN1CFDFFAR1RAB9AELANE
SCHEMBL15385612 0.94 ERN1 (0.40) ERN1CFDFFAR1GAPDHAMY1A
SCHEMBL25944835 0.93 ERN1 (0.43) ERN1FFAR1AMY1ARAB9ATSHR
SCHEMBL17827617 0.91 CFD (0.41) CFDGAPDHAMY1ARAB9AKDM4E
SCHEMBL9607788 0.89 CFD (0.42) ERN1CFDFFAR1RAB9AKDM4E
SCHEMBL17433322 0.88 CFD (0.41) ERN1CFDFFAR1RAB9AKDM4E
SCHEMBL25944784 0.87 ELANE (0.41) ERN1CFDFFAR1GAAELANE
SCHEMBL24180765 0.87 ERN1 (0.50) ERN1FFAR1AMY1ARAB9AALDH1A1
SCHEMBL18308841 0.87 ERN1 (0.47) ERN1FFAR1AMY1ARAB9ATSHR
SCHEMBL25945446 0.86 AMY1A (0.39) ERN1FFAR1GAPDHAMY1AMAPT

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
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed