Hexane

Hexane

SCHEMBL27795604

CCCCCC.COC(N)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
HSP90AA1 P07900 1/20 0.48
FAAH O00519 3/20 0.46
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
ALOX15 P16050 2/20 0.46
ZDHHC7 Q9NXF8 1/20 0.45
AKR1B1 P15121 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT1 P35610 1/20 0.43

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
Cetyl Alcohol SCHEMBL3929326 0.88 LMNA (0.59) EPHX1HSP90AA1FAAHZDHHC7MEN1
Methyl Carbamate SCHEMBL28654176 0.88
Methyl Carbamate SCHEMBL28835830 0.82
Methyl Carbamate SCHEMBL8952192 0.81
Hexane SCHEMBL27912520 0.81 CES2 (0.56) FAAHCES2CES1ALOX15AKR1B1
Methyl Carbamate SCHEMBL788713 0.80 ALDH1A1 (0.50) ALOX15CA2CYP1A2CYP3A4
Methyl Carbamate SCHEMBL4140 0.80
Hexane SCHEMBL9143198 0.79 ALDH1A1 (0.62) EPHX1FAAHCES2CES1ZDHHC7
Hexane SCHEMBL11722687 0.79 EPHX1 (0.52) EPHX1HSP90AA1FAAHCES2CES1
Hexane SCHEMBL849892 0.79 ALDH1A1 (0.62) EPHX1FAAHCES2CES1ZDHHC7

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-101884013-A Photoresist composition and multi-exposure method of multi-layer resist system IBM 2010-11-10 CN disclosed