Hexane

Hexane

SCHEMBL28160239

CCCCCC.CCCCCCCCCCCCOCCl

nearest known ligand 0.52

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CES2 O00748 2/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.45
CES1 P23141 1/20 0.43
SPHK1 Q9NYA1 1/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL27975714 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL11612221 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL11609903 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL5058583 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL5051653 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567287 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL6912038 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL503543 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
SCHEMBL5964102 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT
Hexane SCHEMBL28160230 1.00 THRB (0.52) THRBHTTMEN1KMT2AMAPT

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-103271083-B Multi-functional ionic liquid compositions 阿拉巴马大学 2017-08-11 CN disclosed