SCHEMBL28097057

SCHEMBL28097057

C=C(C)C(=O)OC(=O)C(O)(CC(=O)OC(C)=O)CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ELANE P08246 1/20 0.32
KCNN4 O15554 1/20 0.31
KCNH2 Q12809 2/20 0.30
MRGPRX2 Q96LB1 1/20 0.30
CHRM3 P20309 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL27800485 0.86 CYP2C19 (0.36) CYP2C19HIF1AELANEKCNH2MRGPRX2
SCHEMBL27469877 0.83 CYP2C19 (0.39) CYP2C19HIF1AKCNN4KCNH2MRGPRX2
SCHEMBL28041672 0.82 HIF1A (0.38) CYP2C19HIF1A
SCHEMBL28041671 0.82 CYP2C19 (0.34) CYP2C19HIF1AELANEKCNH2MRGPRX2
SCHEMBL7607187 0.77 CYP2C19 (0.42) CYP2C19HIF1AKCNN4KCNH2CHRM3
SCHEMBL435821 0.73 ELANE (0.45) CYP2C19HIF1AELANEKCNN4
SCHEMBL28277116 0.72 ELANE (0.38) CYP2C19HIF1AELANEKCNN4KCNH2
Phosphine SCHEMBL27261108 0.71 ELANE (0.44) CYP2C19HIF1AELANEKCNN4
Bicarbonate SCHEMBL27420408 0.71 ELANE (0.44) CYP2C19HIF1AELANEKCNN4
Acetic Acid SCHEMBL28277118 0.71 ELANE (0.44) CYP2C19HIF1AELANEKCNN4

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-105849599-B Cellulose ester membrane, its manufacturing method and polarizer 柯尼卡美能达株式会社 2018-06-15 CN disclosed
CN-105849599-A Cellulose-ester film, manufacturing method therefor, and polarizing plate 柯尼卡美能达株式会社 2016-08-10 CN disclosed