SCHEMBL9455236

SCHEMBL9455236

CCCC[n+]1ccc(/C=C/c2ccc(C=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.58
KDM2A Q9Y2K7 2/20 0.58
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
CHAT P28329 1/20 0.47
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
APAF1 O14727 2/20 0.45
HSP90AA1 P07900 2/20 0.45
MAPK1 P28482 2/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL9455241 1.00 KDM4A (0.58) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9455257 0.93 KDM4A (0.68) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9455254 0.93 KDM4A (0.68) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9455279 0.89 KDM4A (0.49) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9455275 0.89 KDM4A (0.49) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL12568905 0.89 KDM4A (0.64) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL16992978 0.84 KMT2A (0.60) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9454991 0.83 RAB9A (0.45) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL9454997 0.83 RAB9A (0.45) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL10615942 0.81 KDM4A (0.57) KDM4AKDM2ACHRM2CHRM4CHRM5

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-5206113-A Photocurable HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-4339524-A VINYL ACETATE, VINYL ALCOHOL ACETAL AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MINISTRY OF INTERNATIONAL TRADE AND INDUSTRY (JP) 1982-07-13 US disclosed