SCHEMBL9681889

SCHEMBL9681889

COc1cc(C(=O)OCCC(C)C)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.78
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
GAA P10253 1/20 0.78
PKM P14618 1/20 0.78
SLC29A1 Q99808 6/20 0.61
SCN1A P35498 2/20 0.59
SCN2A Q99250 2/20 0.59
SCN3A Q9NY46 2/20 0.59
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
THPO P40225 2/20 0.56
MTOR P42345 2/20 0.56
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
PMP22 Q01453 2/20 0.54
ABCC4 O15439 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL9910014 0.84 SLC29A1 (0.56) KMT2AKDM4EALDH1A1GAAPKM
SCHEMBL9680396 0.82 SLC29A1 (0.66) KMT2AKDM4ESLC29A1SCN1ASCN2A
SCHEMBL7406236 0.81 SLC29A1 (0.64) KMT2AKDM4EALDH1A1GAAPKM
SCHEMBL7956551 0.81 SLC29A1 (0.64) KMT2AKDM4EALDH1A1GAAPKM
SCHEMBL8887372 0.81 KMT2A (0.72) KMT2AKDM4EALDH1A1GAAPKM
SCHEMBL8887377 0.80 KMT2A (0.66) KMT2AKDM4EALDH1A1GAAPKM
SCHEMBL11848930 0.79 SLC29A1 (0.55) KMT2AKDM4EALDH1A1GAAPKM
SCHEMBL11219537 0.79 SCN1A (0.69) KMT2ASLC29A1SCN1ASCN2ASCN3A
SCHEMBL8055892 0.79 SCN1A (0.69) KMT2ASLC29A1SCN1ASCN2ASCN3A
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.78 KMT2A (0.66) KMT2AKDM4EALDH1A1PKMSLC29A1

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-5106814-A Containing aromatic isocyanate, imino compound, trialkoxy benzoate; image stability, responsiveness MITSUBISHI PAPER MILLS LIMITED (JP) 1992-04-21 US disclosed