SCHEMBL10078504

SCHEMBL10078504

O=S(=O)(OCC1CO1)OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 5/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPK1 P28482 1/20 0.38
TP53 P04637 5/20 0.38
CYP3A4 P08684 2/20 0.38
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 3/20 0.35
HIF1A Q16665 2/20 0.34
GLA P06280 1/20 0.32
HBB P68871 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL9307549 0.86 ALDH1A1 (0.38) ALDH1A1PKMLMNAGAATSHR
SCHEMBL28068752 0.86 ALDH1A1 (0.40) ALDH1A1PKMLMNAGAATSHR
SCHEMBL28081352 0.80 ALDH1A1 (0.43) ALDH1A1PKMLMNAGAATSHR
SCHEMBL1556221 0.80
SCHEMBL28081433 0.80 ALDH1A1 (0.43) ALDH1A1PKMLMNAGAATSHR
SCHEMBL4590639 0.80
SCHEMBL9388737 0.80
SCHEMBL1556223 0.80
SCHEMBL1556220 0.80
Ammonia Solution, Strong SCHEMBL9616854 0.78 ALDH1A1 (0.39) ALDH1A1PKMLMNAGAATSHR

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
US-8216487-B2 Copolymer of propylene or ethylene oxide and of an oxirane bearing an ionic group BATSCAP (FR) 2012-07-10 US disclosed