SCHEMBL28035292

SCHEMBL28035292

CCCC=C(COCC1CO1)OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28035244 0.89 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL28028547 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27835438 0.81 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27916720 0.75 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL9407358 0.71 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL22574614 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL3143464 0.71 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL27916735 0.70 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL14721171 0.70 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL15065139 0.70 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4

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