SCHEMBL28079186

SCHEMBL28079186

CC(C)=C(C)C(=O)O.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
Acetic Acid SCHEMBL2578978 0.84 FFAR3 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acetic Acid SCHEMBL11542884 0.84 FFAR3 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acetic Acid SCHEMBL813643 0.84 FFAR3 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acetic Acid SCHEMBL10338274 0.84 FFAR3 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4579823 0.84 THRB (0.31)
Oxalic Acid SCHEMBL28077223 0.82 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL9170487 0.81 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL218040 0.81 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL1655579 0.81 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL59117 0.81 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-105814106-A Polyfunctional urethane (meth)acrylate and curable resin composition containing same 三菱瓦斯化学株式会社 2016-07-27 CN disclosed
CN-105793778-A PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE RESIN LAMINATE 旭化成株式会社 2016-07-20 CN disclosed