SCHEMBL28035244

SCHEMBL28035244

CCCCCC=C(COCC1CO1)OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ENPP2 Q13822 2/20 0.37
TSHR P16473 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL28035292 0.89 SMN1; SMN2 (0.43) ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL28028547 0.83 SMN1; SMN2 (0.42) ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL27835438 0.77 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL27899219 0.76 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL28311515 0.75 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2TSHR
SCHEMBL19971466 0.73 SMN1; SMN2 (0.55) ALDH1A1TDP1SMN1; SMN2ENPP2TSHR
Hexane SCHEMBL4654966 0.73 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2ENPP2TSHR
Hexane SCHEMBL268059 0.73 ALDH1A1 (0.76) ALDH1A1TDP1SMN1; SMN2ENPP2TSHR
SCHEMBL29004765 0.72 ALDH1A1 (0.46) ALDH1A1TDP1ENPP2LPAR2
SCHEMBL9441615 0.72 ALDH1A1 (0.50) ALDH1A1TDP1ENPP2LPAR2

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-104981515-A Composition for printing medium and printing medium YUPO CORP 2015-10-14 CN disclosed