SCHEMBL28804315

SCHEMBL28804315

CCCCCCCCCCCCCCCCC(CCCC)C(=O)OCOCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
CA2 P00918 2/20 0.41
PRKCD Q05655 2/20 0.38
CA1 P00915 1/20 0.37
ENPP2 Q13822 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6912216 0.88 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL21318433 0.88 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL28550282 0.87 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL28548252 0.87 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL9770339 0.87 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL600501 0.82 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL600502 0.81 CA2 (0.47) ALDH1A1TDP1SMN1; SMN2CA2CA1
SCHEMBL14594983 0.81 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2CA2PRKCD
SCHEMBL93242 0.78 CA2 (0.54) ALDH1A1TDP1SMN1; SMN2CA2CA1
SCHEMBL29049547 0.78 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2ENPP2

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-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed