Hexane

Hexane

SCHEMBL27656757

CCCCCC.O=[PH](O)O[PH](=O)O

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
TSHR P16473 5/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
GPR84 Q9NQS5 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
1-Pentanol SCHEMBL10796811 0.90 SMN1; SMN2 (0.57) LPAR3LPAR1LPAR2TSHRTHRB
Octanol SCHEMBL10859286 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
Nonanol SCHEMBL10859534 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
Cetyl Alcohol SCHEMBL10862659 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
1-Pentanol SCHEMBL10862319 0.88 SMN1; SMN2 (0.55) LPAR3LPAR1LPAR2TSHRTHRB
Undecanol SCHEMBL10862337 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
1-Heptanol SCHEMBL10859260 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
Tridecan-1-Ol SCHEMBL10863058 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
SCHEMBL10860812 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB
Cetostearyl Alcohol SCHEMBL10857345 0.88 LMNA (0.59) LPAR3LPAR1LPAR2TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102190661-B Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2013-07-31 CN disclosed
CN-102190661-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2011-09-21 CN disclosed
CN-101827854-A Transition metal complex and method for producing conjugated aromatic compound using same SUMITOMO CHEMICAL CO 2010-09-08 CN disclosed
CN-101429200-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2009-05-13 CN disclosed
CN-1934116-A Tricyclic benzopyran compounds useful as antiarrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2007-03-21 CN disclosed