Hexane

Hexane

SCHEMBL8012017

CC(=O)CCC(=O)OC(C)C.CCCCCC

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.44
PRKCA P17252 3/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
DGKA P23743 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CES2 O00748 1/20 0.38

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
SCHEMBL811107 0.89 LMNA (0.54) LMNAMAPTALDH1A1TSHR
SCHEMBL11816713 0.87 LMNA (0.52) LMNAMAPTALDH1A1TSHR
SCHEMBL121439 0.85 LMNA (0.96) LMNAMAPTMAPK1ALDH1A1PRKCA
Isopropyl Alcohol SCHEMBL811815 0.85 LMNA (0.50) LMNAMAPTALDH1A1TSHR
Isopropyl Myristate SCHEMBL7210545 0.84 LMNA (0.92) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL43528 0.83 LMNA (1.00) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL29523 0.83 LMNA (1.00) LMNAMAPTMAPK1ALDH1A1PRKCA
Isopropyl Palmitate SCHEMBL22578002 0.83 LMNA (1.00) LMNAMAPTMAPK1ALDH1A1PRKCA
Isopropyl Palmitate SCHEMBL1133116 0.83 LMNA (1.00) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL1278398 0.83 LMNA (1.00) LMNAMAPTMAPK1ALDH1A1PRKCA

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-6055936-A ACIDIFICATION; SOLVENT EXTRACTION COLLIN PETER DONALD (US) 2000-05-02 US disclosed