SCHEMBL28334174

SCHEMBL28334174

COC=C(C(=O)OC)c1ccccc1COc1cccc(/C=C/c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.54
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
LCK P06239 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL9894711 0.90 HIF1A (0.55) HIF1ACCNB2CDK1CDK4CCNB1
SCHEMBL7171876 0.90 HIF1A (0.55) HIF1ACCNB2CDK1CDK4CCNB1
SCHEMBL1263067 0.90 HIF1A (0.55) HIF1ACCNB2CDK1CDK4CCNB1
SCHEMBL7172810 0.87 HIF1A (0.50) HIF1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7172808 0.87 HIF1A (0.50) HIF1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9262554 0.87 HIF1A (0.50) HIF1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9894570 0.87 HIF1A (0.62) HIF1A
SCHEMBL9894571 0.87 HIF1A (0.62) HIF1A
SCHEMBL9894569 0.87 HIF1A (0.62) HIF1A
SCHEMBL7171914 0.87 HIF1A (0.54) HIF1AKDM4EALDH1A1SMN1; SMN2

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-102115458-B Synthetic method of 3-methoxy-2-aryl methyl acrylate compound 大连九信精细化工有限公司 2019-12-13 CN disclosed