SCHEMBL29049547

SCHEMBL29049547

CCCCCCCCCCCCCCCCCCC(CC(=O)OCC1CO1)C(=O)OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
TLR4 O00206 1/20 0.43
LPAR1 Q92633 3/20 0.40
LPAR3 Q9UBY5 3/20 0.40
ENPP2 Q13822 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1715067 0.94 ALDH1A1 (0.43) ALDH1A1TDP1TLR4SMN1; SMN2
Water SCHEMBL28201965 0.93 ALDH1A1 (0.42) ALDH1A1TDP1TLR4SMN1; SMN2
SCHEMBL28550282 0.90 ALDH1A1 (0.49) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL28548252 0.90 ALDH1A1 (0.49) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL9770339 0.90 ALDH1A1 (0.49) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL6912216 0.88 ALDH1A1 (0.47) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL21318433 0.88 ALDH1A1 (0.47) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL600502 0.87 CA2 (0.47) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL600501 0.85 ALDH1A1 (0.44) ALDH1A1TDP1ENPP2SMN1; SMN2
SCHEMBL28197584 0.84 CA2 (0.45) ALDH1A1TLR4SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601794-B Adhesive tape 三菱化学株式会社 2023-07-11 CN disclosed