Hexane

Hexane

SCHEMBL8003174

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
AKR1B1 P15121 1/20 0.46
THRB P10828 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44

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 SCHEMBL8003172 1.00 EP300 (0.46) EP300AKR1B1THRBFNTAFNTB
Dodecane SCHEMBL27898176 0.97 EP300 (0.50) EP300THRBFNTAFNTBPGGT1B
Pentadecane SCHEMBL27682452 0.97 EP300 (0.50) EP300THRBFNTAFNTBPGGT1B
Decane SCHEMBL27701501 0.97 EP300 (0.50) EP300THRBFNTAFNTBPGGT1B
Tetradecane SCHEMBL28022047 0.97 EP300 (0.50) EP300THRBFNTAFNTBPGGT1B
Decane SCHEMBL28002905 0.95 EP300 (0.48) EP300THRBFNTAFNTBPGGT1B
Butane SCHEMBL27898140 0.89 FFAR3 (0.36) EP300AKR1B1THRBFNTAFNTB
Hexanoate SCHEMBL1567038 0.89 AKR1B1 (0.67) AKR1B1GPR84PPARGPPARDPPARA
Dodecanol SCHEMBL27877411 0.89 TSHR (0.54) EP300THRBFNTAFNTBPGGT1B
Octacosanol SCHEMBL27788089 0.89 TSHR (0.54) EP300THRBFNTAFNTBPGGT1B

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-6045956-A FORMING A COLOR IMAGE USING AN ELECTROPHOTOGRAPHIC PROCESS WHICH IS APPLICABLE TO THE FIELD OF COLOR COPY, COLOR PRINT, COLOR PROOF, COLOR CHECK AND LIKE FUJI PHOTO FILM CO., LTD. (JP) 2000-04-04 US disclosed