SCHEMBL28833435

SCHEMBL28833435

CC1OC(=O)C(C)OC1=O.CCC1CCC(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
ALPG P10696 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL14144051 0.90
SCHEMBL9608918 0.90
SCHEMBL28064716 0.90 CYP1A2 (0.60) CYP1A2CA1CA9SMN1; SMN2CYP2D6
SCHEMBL36360 0.90
Arsenic SCHEMBL28143249 0.88
Methane SCHEMBL28076377 0.88
Hexane SCHEMBL28177944 0.82 CYP1A2 (0.73) CYP1A2CA1CA9SMN1; SMN2CYP2D6
Ethylene Glycol SCHEMBL28196636 0.82 CYP1A2 (0.53) CYP1A2CA1CA9SMN1; SMN2CYP2D6
SCHEMBL28141222 0.82 CYP1A2 (0.53) CYP1A2CA1CA9SMN1; SMN2CYP2D6
Propene SCHEMBL28832864 0.81 CYP1A2 (0.51) CYP1A2CA1CA9SMN1; SMN2CYP2D6

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
CN-105899980-A Adhesive, polarizing film, liquid crystal panel, optical film, and image display device 日东电工株式会社 2016-08-24 CN disclosed