Hexane

Hexane

SCHEMBL3260754

CCCCCC.CCCCCOCCCCC

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.65
HTT P42858 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
MAPT P10636 1/20 0.65
TSHR P16473 4/20 0.58
CES2 O00748 2/20 0.52
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
CES1 P23141 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
LMNA P02545 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
SCHEMBL8773 1.00 THRB (0.65) THRBHTTMEN1KMT2AMAPT
SCHEMBL9011679 1.00 THRB (0.65) THRBHTTMEN1KMT2AMAPT
SCHEMBL9011627 1.00 THRB (0.65) THRBHTTMEN1KMT2AMAPT
SCHEMBL21044624 0.96 THRB (0.70) THRBHTTMEN1KMT2AMAPT
SCHEMBL23356870 0.96 THRB (0.70) THRBHTTMEN1KMT2AMAPT
SCHEMBL23356971 0.96 THRB (0.70) THRBHTTMEN1KMT2AMAPT
SCHEMBL21044672 0.96 THRB (0.70) THRBHTTMEN1KMT2AMAPT
SCHEMBL21044729 0.96 THRB (0.70) THRBHTTMEN1KMT2AMAPT
SCHEMBL21044691 0.96 THRB (0.70) THRBHTTMEN1KMT2AMAPT
SCHEMBL21044622 0.96 THRB (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101693709-A Bicyclic amides as kinase inhibitors NOVARTIS AG 2010-04-14 CN disclosed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN disclosed