SCHEMBL28041671

SCHEMBL28041671

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ELANE P08246 1/20 0.32
KCNH2 Q12809 2/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
MRGPRX2 Q96LB1 1/20 0.31
CHRM3 P20309 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL28097057 0.82 CYP2C19 (0.33) CYP2C19HIF1AELANEKCNH2OPRM1
SCHEMBL28041672 0.81 HIF1A (0.38) CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL27800485 0.80 CYP2C19 (0.36) CYP2C19HIF1AELANEKCNH2OPRM1
SCHEMBL27469877 0.79 CYP2C19 (0.39) CYP2C19HIF1AKCNH2OPRM1OPRD1
SCHEMBL435821 0.77 ELANE (0.45) CYP2C19HIF1AELANECYP1A2CYP2D6
Bicarbonate SCHEMBL27420408 0.75 ELANE (0.44) CYP2C19HIF1AELANECYP1A2CYP2D6
Acetic Acid SCHEMBL28277118 0.75 ELANE (0.44) CYP2C19HIF1AELANECYP1A2CYP2D6
Phosphine SCHEMBL27261108 0.75 ELANE (0.44) CYP2C19HIF1AELANECYP1A2CYP2D6
Sulfuric Acid SCHEMBL28852221 0.74 ELANE (0.41) CYP2C19HIF1AELANECYP1A2CYP2D6
Ethaneperoxoic Acid SCHEMBL28000531 0.74 ELANE (0.41) CYP2C19HIF1AELANECYP1A2CYP2D6

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-110235031-A Film roll and method for producing same 柯尼卡美能达株式会社 2019-09-13 CN disclosed
CN-103238103-B Liquid crystal indicator KONICA MINOLTA,INC. (JP) 2015-12-09 CN disclosed