SCHEMBL29290381

SCHEMBL29290381

CCCCCCCCCCCCC1OCC1CO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.54
SPHK2 Q9NRA0 7/20 0.54
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.42
PRKCA P17252 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GBA1 P04062 3/20 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
SCHEMBL25292573 0.92 SPHK1 (0.44) SPHK1SPHK2ALDH1A1TDP1GBA1
SCHEMBL996336 0.83 SPHK1 (0.49) SPHK1SPHK2ALDH1A1EPHX1PRKCA
SCHEMBL9839339 0.79 LMNA (0.42) SPHK1SPHK2ALDH1A1GBA1
SCHEMBL21409770 0.78 SPHK2 (0.43) SPHK1SPHK2ALDH1A1PRKCA
SCHEMBL25238880 0.76 SPHK1 (0.41) SPHK1SPHK2ALDH1A1PRKCAGBA1
SCHEMBL1404426 0.74
SCHEMBL3374623 0.74 SPHK1 (0.40) SPHK1SPHK2ALDH1A1PRKCA
SCHEMBL12087870 0.74 ALDH1A1 (0.56) SPHK1SPHK2ALDH1A1EPHX1TDP1
SCHEMBL11117544 0.73 SPHK2 (0.69) SPHK1SPHK2ALDH1A1GBA1
SCHEMBL11117820 0.73 SPHK2 (0.69) SPHK1SPHK2ALDH1A1GBA1

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-105820342-B Compound, desiccant, sealing structure and organic EL element 双叶电子工业株式会社 2019-04-09 CN disclosed