Hexane

Hexane

SCHEMBL27754451

CCCCCC.c1ccc2c(c1)O2

nearest known ligand 0.47

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 1/20 0.44
AHR P35869 3/20 0.41
CYP1A1 P04798 2/20 0.41
ALOX5 P09917 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX1 P51575 1/20 0.39
P2RX4 Q99571 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LTA4H P09960 1/20 0.39
USP2 O75604 1/20 0.38

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
Butane SCHEMBL28796046 0.88 AHR (0.44) KMT2AMEN1MAPTAHRALOX5
1-Bromobutane SCHEMBL1171658 0.85 KMT2A (0.40) KMT2AMEN1MAPTAHRCYP1A1
SCHEMBL11001 0.84 CYP1A1 (0.42) KMT2AMEN1MAPTCYP1A1LIPG
SCHEMBL28913824 0.82 FFAR4 (0.46) KMT2AMEN1MAPT
Propanol SCHEMBL11050191 0.81 KMT2A (0.43) KMT2AMEN1MAPTAHRALOX5
N-Propyl Bromide SCHEMBL21768311 0.81 AHR (0.44) KMT2AMEN1MAPTAHRALOX5
Alcohol SCHEMBL15392385 0.80 MAOA (0.44) KMT2AMEN1MAPTAHRALOX5
Ethane SCHEMBL28106088 0.78
SCHEMBL125113 0.78 MAOA (0.56) AHRALOX5MAOAMAOBSMN1; SMN2
SCHEMBL8668546 0.78 MAOA (0.56) AHRALOX5MAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101362739-B Method for preparing olefin epoxide UNIV EAST CHINA NORMAL 2010-09-01 CN disclosed
CN-101362739-A Method for preparing olefin epoxide UNIV EAST CHINA NORMAL (CN) 2009-02-11 CN disclosed