Dodecane

Dodecane

SCHEMBL5830464

CCCCCCCCCCCC.O=C(O)OOC(=O)O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 5/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55
ALOX15 P16050 1/20 0.55
PDE4A P27815 1/20 0.55
PDE3A Q14432 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
Octane SCHEMBL11146808 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL29213072 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL11568184 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Dodecane SCHEMBL8734030 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25195467 0.88 NAAA (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL10356349 0.86 DGKA (0.57) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL3004605 0.83 NAAA (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8512927 0.83 NAAA (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9461649 0.83 NAAA (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2466919 0.82 NAAA (0.53) TSHRALDH1A1

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
US-7132390-B2 soluble zinc salts of polycarboxylic acids adsorbed on crystal structured alkali metal silicates, used in detergent mixtures comprising soap buiders, bleaches, buffers and surfactants CLARIANT GMBH (DE) 2006-11-07 US disclosed
US-20050043197-A1 Phyllosilicate adsorbate and its use CLARIANT GMBH 2005-02-24 US disclosed