Hexane

Hexane

SCHEMBL27520164

CCCCCC.NNC(=O)NN

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
ALOX15 P16050 2/20 0.48
CTSD P07339 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
AKR1B1 P15121 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
TSHR P16473 3/20 0.42
GPR84 Q9NQS5 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TLR2 O60603 1/20 0.42

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
Hexadecane SCHEMBL10708387 0.97 EPHX1 (0.54) EPHX1ALOX15CTSDCES2CES1
Dodecane SCHEMBL15418956 0.97 EPHX1 (0.54) EPHX1ALOX15CTSDCES2CES1
Pentane SCHEMBL27451503 0.94 ALOX15 (0.48) EPHX1ALOX15CTSDCA1CA2
SCHEMBL28103157 0.88 DNM1 (0.59) EPHX1TSHRALDH1A1MEN1KMT2A
Butane SCHEMBL13275790 0.88 CTSD (0.52) EPHX1ALOX15CTSDCA1CA2
Butane SCHEMBL27993095 0.88 CTSD (0.52) EPHX1ALOX15CTSDCA1CA2
Propane SCHEMBL27521157 0.84
SCHEMBL1395514 0.83 EPHX1 (0.71) EPHX1ALDH1A1
Hexane SCHEMBL5075192 0.82 TSHR (0.59) ALOX15CTSDCA1CA2CES2
Propylamine SCHEMBL27804576 0.82 CTSD (0.48) EPHX1ALOX15CTSDCA1CA2

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-1247645-C Process for the preparation of coating, coated substrate, adhesive, film or sheet, for the thus obtained products and the coating mixture to be used in the process STAHL INT BV (NL) 2006-03-29 CN claimed
CN-1399654-A Process for the preparation of coating, coated substrate, adhesive, film or sheet, for the thus obtained products and the coating mixture to be used in the process STAHL INT BV (NL) 2003-02-26 CN claimed
CN-109937038-A Dicyclic nitrogen-containing heterocycle compound 田边三菱制药株式会社 2019-06-25 CN disclosed
CN-1247645-C Process for the preparation of coating, coated substrate, adhesive, film or sheet, for the thus obtained products and the coating mixture to be used in the process STAHL INT BV (NL) 2006-03-29 CN disclosed
CN-1399654-A Process for the preparation of coating, coated substrate, adhesive, film or sheet, for the thus obtained products and the coating mixture to be used in the process STAHL INT BV (NL) 2003-02-26 CN disclosed