SCHEMBL9680396

SCHEMBL9680396

CCCOC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.66
KDM4E B2RXH2 1/20 0.65
POLB P06746 1/20 0.65
SCN1A P35498 2/20 0.64
SCN2A Q99250 2/20 0.64
SCN3A Q9NY46 2/20 0.64
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
THPO P40225 2/20 0.63
MTOR P42345 2/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
PMP22 Q01453 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
ABCC4 O15439 1/20 0.58
CYP2C9 P11712 1/20 0.58
CHRM3 P20309 1/20 0.58
HTR2A P28223 1/20 0.58

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
SCHEMBL8055892 0.90 SCN1A (0.69) SLC29A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL27519173 0.89 CYP3A4 (0.71) SLC29A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL9680878 0.87 CYP3A4 (0.73) SLC29A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL9680837 0.87 CYP3A4 (0.73) SLC29A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL9681943 0.87 CYP3A4 (0.73) SLC29A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL27461487 0.86 KDM4E (0.69) KDM4EPOLBKMT2ALMNATSHR
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.86 KMT2A (0.66) SLC29A1KDM4ESCN1ASCN2ASCN3A
SCHEMBL7956551 0.85 SLC29A1 (0.64) SLC29A1KDM4ESCN1ASCN2ASCN3A
SCHEMBL7406236 0.85 SLC29A1 (0.64) SLC29A1KDM4ESCN1ASCN2ASCN3A
Troxonium SCHEMBL29388450 0.84 SLC29A1 (0.59) SLC29A1SCN1ASCN2ASCN3ACYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178387-A Ellagic acid compound and preparation method and application thereof 湖南先伟阳光生物科技有限公司 2023-05-30 CN disclosed
CN-103819586-B A kind of catalyst system for olefinic polyreaction SINOPEC CORP. (CN) 2016-03-30 CN disclosed
CN-103304691-B A kind of catalyst system for olefinic polyreaction SINOPEC CORP. (CN) 2015-09-16 CN disclosed
CN-103819586-A Catalyst system for alkene polymerization reaction CHINA PETROLEUM & CHEMICAL 2014-05-28 CN disclosed
CN-103304691-A Catalyst system used for alkene polymerization CHINA PETROLEUM & CHEMICAL 2013-09-18 CN disclosed
US-5106814-A Containing aromatic isocyanate, imino compound, trialkoxy benzoate; image stability, responsiveness MITSUBISHI PAPER MILLS LIMITED (JP) 1992-04-21 US disclosed