Hexane

Hexane

SCHEMBL28816063

CCCCCC.O=C(O)NCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
NAAA Q02083 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CDC25A P30304 1/20 0.42
HTR2A P28223 1/20 0.42
ASAH1 Q13510 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL29579635 0.90 HTR2A (0.45) KMT2AMEN1HTR2A
SCHEMBL88302 0.90 HTR2A (0.45) KMT2AMEN1HTR2A
Ammonia Solution, Strong SCHEMBL28099493 0.89 HTR2A (0.44) KMT2AMEN1HTR2A
Bicarbonate SCHEMBL7694925 0.80 HTR2A (0.47) BCHEACHECDC25AHTR2A
SCHEMBL21895871 0.78 MTNR1A (0.49) KMT2AHTR2A
SCHEMBL9813388 0.78 KMT2A (0.48) KMT2AEPHX2
Piperidine SCHEMBL5679331 0.78 MAPT (0.42) KMT2A
SCHEMBL28246095 0.77 KMT2A (0.44) KMT2AEPHX2
SCHEMBL1567087 0.76 HTR2A (0.45) KMT2AHTR2AEPHX2
SCHEMBL21895917 0.76 BCHE (0.53) BCHEACHEKMT2AMEN1HTR2A

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-103384700-B Acrylic rubber composition NOK CORP 2015-02-11 CN disclosed