SCHEMBL28057421

SCHEMBL28057421

C=C(C)C(=O)OCC.C=CC(=O)OC1C[C@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
ELANE P08246 2/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 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
SCHEMBL17054726 1.00 CYP2C19 (0.47) CYP2C19ELANEKMT2AKDM4EALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL3627442 0.91 CYP2C19 (0.43) CYP2C19ELANEKMT2AKDM4EALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL28834563 0.91 KMT2A (0.44) CYP2C19ELANEKMT2AKDM4EALDH1A1
SCHEMBL8064810 0.89 CYP2C19 (0.51) CYP2C19ELANEKMT2AKDM4EALDH1A1
SCHEMBL8064815 0.89 CYP2C19 (0.51) CYP2C19ELANEKMT2AKDM4EALDH1A1
Ethylene Glycol SCHEMBL22654545 0.89 CYP2C19 (0.45) CYP2C19ELANEKMT2AKDM4EALDH1A1
SCHEMBL23855038 0.87 LMNA (0.52) CYP2C19ELANEKMT2AKDM4EALDH1A1
SCHEMBL8777327 0.87 LMNA (0.52) CYP2C19ELANEKMT2AKDM4EALDH1A1
SCHEMBL7897294 0.87 CYP2C19 (0.49) CYP2C19ELANEKMT2AKDM4EALDH1A1
SCHEMBL7897292 0.87 CYP2C19 (0.49) CYP2C19ELANEKMT2AKDM4EALDH1A1

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
CN-104781339-B methacrylic resin composition 株式会社可乐丽 2016-10-12 CN disclosed
CN-105764981-A Acrylic resin film 株式会社可乐丽 2016-07-13 CN disclosed