SCHEMBL28114601

SCHEMBL28114601

C=CC(=O)OCC1CO1.[CH3]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TP53 P04637 4/20 0.47
CYP3A4 P08684 3/20 0.47
MGLL Q99685 3/20 0.44
TSHR P16473 6/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL17692 0.98
SCHEMBL29850839 0.98 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL15082542 0.98
SCHEMBL16307334 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Ethylene SCHEMBL21354082 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Formaldehyde SCHEMBL25206470 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Methane SCHEMBL1504297 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Hydrochloric Acid SCHEMBL10494778 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Water SCHEMBL10496050 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR
Ammonia Solution, Strong SCHEMBL28084722 0.96 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLTSHR

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-104768760-B Mold release film and method for producing same 尤尼吉可株式会社 2017-06-09 CN disclosed
CN-103492433-B solvent-free composition and preparation method thereof 株式会社LG化学 2016-12-14 CN disclosed