SCHEMBL9307549

SCHEMBL9307549

NOS(=O)(=O)OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
PKM P14618 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.37
TSHR P16473 3/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
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
SCHEMBL10078504 0.86 ALDH1A1 (0.42) ALDH1A1PKMLMNAGAACA2
SCHEMBL28068752 0.78 ALDH1A1 (0.40) ALDH1A1PKMLMNAGAACA2
SCHEMBL9388737 0.77
SCHEMBL1556220 0.73
SCHEMBL28081352 0.73 ALDH1A1 (0.43) ALDH1A1PKMLMNAGAACA2
SCHEMBL28081433 0.73 ALDH1A1 (0.43) ALDH1A1PKMLMNAGAACA2
SCHEMBL4590639 0.73
SCHEMBL1556223 0.73
SCHEMBL1556221 0.73
Ammonia Solution, Strong SCHEMBL9616854 0.71 ALDH1A1 (0.39) ALDH1A1PKMLMNAGAACA2

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-5320783-A Detergent gels containing ethoxylated alkyl sulfate surfactants in hexagonal liquid crystal form THE PROCTER & GAMBLE COMPANY (US) 1994-06-14 US disclosed