Heptane

Heptane

SCHEMBL5841596

CC(=O)OC(C)(C)C.CCCCCCC

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CES2 O00748 6/20 0.44
GAA P10253 1/20 0.43
CES1 P23141 3/20 0.42
FAAH O00519 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 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
Dodecane SCHEMBL27624776 1.00 ALDH1A1 (0.44) ALDH1A1CES2GAACES1FAAH
Hexane SCHEMBL28043483 0.87 FAAH (0.50) CES1FAAHPPARGPPARDPPARA
SCHEMBL28043484 0.87 FAAH (0.50) CES1FAAHPPARGPPARDPPARA
Butyl Alcohol SCHEMBL28184687 0.86 ALDH1A1 (0.48) ALDH1A1GAATSHRTDP1MEN1
Butylamine SCHEMBL28204559 0.85 ALDH1A1 (0.40) ALDH1A1GAATSHRMEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL2340112 0.83 ALDH1A1 (0.72) ALDH1A1GAAFAAHTSHRTDP1
Alcohol SCHEMBL21899723 0.82 GAA (0.48) ALDH1A1GAATSHRTDP1MEN1
SCHEMBL28745990 0.82 GAA (0.50) ALDH1A1GAATSHRTDP1HSD17B10
SCHEMBL26684 0.82
SCHEMBL28358909 0.82 GAA (0.50) ALDH1A1GAATSHRTDP1HSD17B10

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
US-7001947-B2 Cyanoadhesive composition for toy articles MATTEL, INC. (US) 2006-02-21 US disclosed
US-20040087710-A1 Cyanoadhesive composition for toy articles MATTEL, INC. 2004-05-06 US disclosed
US-6660327-B2 Imparting shear, peeling and wear resistance as well as tensile and impact strength; curing styrenic copolymer, alpha cyanoacrylate and volatile solvent on thermoplastic elastomeric substrate MATTEL, INC. 2003-12-09 US disclosed
US-20030125443-A1 Cyanoadhesive composition for toy articles MATTEL, INC. 2003-07-03 US disclosed