SCHEMBL28034730

SCHEMBL28034730

OC(CCCC(O)OCC1CO1)OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.31

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
SCHEMBL21327777 0.94 TSHR (0.40) TSHRALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL1411899 0.90 TSHR (0.38) TSHRALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL3888232 0.90 TSHR (0.38) TSHRALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL25211268 0.88 TSHR (0.36) TSHRALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL3204024 0.88 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL636117 0.88 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL525459 0.87 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL11416391 0.87 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL1970400 0.87 TSHR (0.35) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL122129 0.87 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2TDP1

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