Hexadecane

Hexadecane

SCHEMBL27980697

CCCC(=O)O.CCCCCCCCCCCCCCCC

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.79
PPARG P37231 7/20 0.79
PPARD Q03181 7/20 0.79
PPARA Q07869 7/20 0.79
HDAC11 Q96DB2 5/20 0.79
TSHR P16473 4/20 0.79
PTPN1 P18031 3/20 0.79
FABP4 P15090 3/20 0.79
ALDH1A1 P00352 2/20 0.79
TLR2 O60603 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
KMT2A Q03164 2/20 0.79
ALOX15 P16050 2/20 0.79
HSD17B10 Q99714 2/20 0.79
SLC22A6 Q4U2R8 1/20 0.79
SLC22A8 Q8TCC7 1/20 0.79
MEN1 O00255 1/20 0.79
ESR1 P03372 1/20 0.79
PDE4A P27815 1/20 0.79
PDE3A Q14432 1/20 0.79

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
Nonane SCHEMBL28234147 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL197691 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Tetradecane SCHEMBL27616455 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Octane SCHEMBL7563355 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL7403977 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Decane SCHEMBL8483044 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL8097495 0.97 GPR84 (0.75) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL23014527 0.97 FFAR3 (0.81) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL59956 0.97 FFAR3 (0.81) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL7471228 0.97 FFAR3 (0.81) GPR84PPARGPPARDPPARAHDAC11

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-118198566-A Repairing and regenerating method of waste positive electrode material and regenerated positive electrode material 厦门厦钨新能源材料股份有限公司 2024-06-14 CN claimed
CN-118198566-A Repairing and regenerating method of waste positive electrode material and regenerated positive electrode material 厦门厦钨新能源材料股份有限公司 2024-06-14 CN disclosed
CN-103997931-B Bar like paint keeps body 株式会社高丝 2016-08-31 CN disclosed
CN-105142631-A Cancer drug and uses BIOCOPEA LTD 2015-12-09 CN disclosed
CN-103997931-A Rod-shaped cosmetic holder KOSE CORP 2014-08-20 CN disclosed