Hexane

Hexane

SCHEMBL5994259

CCCCCC.CCCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCCCC(=O)OCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.75
PAM P19021 2/20 0.67
TSHR P16473 2/20 0.62
MAPT P10636 1/20 0.62
CYP1A2 P05177 1/20 0.61
LMNA P02545 4/20 0.60
ALDH1A1 P00352 2/20 0.60
DNM1 Q05193 1/20 0.60
KDM4E B2RXH2 1/20 0.58
DUSP3 P51452 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PRKCA P17252 1/20 0.55
PRKCE Q02156 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCD Q05655 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
Hexane SCHEMBL3151787 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL900615 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Hexane SCHEMBL2349171 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Hexane SCHEMBL3138126 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL6443707 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL8322451 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL116995 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL454 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL8375548 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL5448566 1.00 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38970-E1 Indolyl or indolinyl derivatives and medicinal use thereof as ACAT or lipid peroxidation inhibitors KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2006-02-07 US disclosed
EP-0866059-B1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2001-12-05 EP disclosed
US-6200988-B1 TETRAHYDROQUINOLINE DERIVATES; INHIBITORS OF ACYL COA:CHOLESTEROL ACYLTRANSFERASE AND LIPOPEROXIDATION; ARTERIOSCLEROSIS: CARDIOVASCULAR AND BRAIN DISORDERS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed
US-6063806-A CARBOXY ACID OR ESTER DERIVATIVES OF INDOLINE OR INDOLE KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0866059-A1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1998-09-23 EP disclosed