SCHEMBL28550282

SCHEMBL28550282

CCCCCCCCC(CCCCCCCC)C(=O)OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 2/20 0.42
PRKCD Q05655 2/20 0.41
ENPP2 Q13822 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL9770339 1.00 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL28548252 1.00 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL21318433 0.98 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL6912216 0.98 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL600501 0.95 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL600502 0.94 CA2 (0.47) ALDH1A1TDP1SMN1; SMN2CA2ENPP2
SCHEMBL14594983 0.93 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL29049547 0.90 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2ENPP2
SCHEMBL14562387 0.88 TDP1 (0.46) ALDH1A1TDP1SMN1; SMN2CA2TP53
SCHEMBL9546989 0.87 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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-108350252-B Epoxy reactive diluent and epoxy resin composition containing same 日产化学工业株式会社 2021-04-09 CN disclosed