SCHEMBL1898239

SCHEMBL1898239

C(OCC1CO1)C1CO1.CC(C)(COCC1CO1)COCC1CO1

nearest known ligand 0.95

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.95
MAPK1 P28482 1/20 0.95
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
CYP3A4 P08684 2/20 0.34
GLA P06280 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
SCHEMBL36455 0.98 TSHR (1.00) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Phosphoric Acid SCHEMBL1871884 0.88 TSHR (0.81) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13399053 0.88 TSHR (0.81) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13383371 0.87 TSHR (0.80) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1908201 0.85 TSHR (0.70) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1069813 0.85 TSHR (0.77) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL19828463 0.85 TSHR (0.75) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL22810966 0.85 TSHR (0.75) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL551254 0.84 TSHR (0.75) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13558703 0.84 TSHR (0.75) TSHRMAPK1ALDH1A1SMN1; 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
US-7951224-B2 Process for improving the cetane rating of distillate and diesel boiling range fractions EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-05-31 US claimed