Hexadecane

Hexadecane

SCHEMBL28848112

CCCCCCCCCCCCCCCC.NNC(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
ALOX15 P16050 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
PDE4A P27815 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE3A Q14432 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL28164349 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28164393 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Pentadecane SCHEMBL28164394 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Nonacosane SCHEMBL28228082 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28164350 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28164867 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28164344 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28164861 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Butane SCHEMBL1803262 0.85
Hexadecane SCHEMBL10708387 0.83 EPHX1 (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109642086-A resin composition and use thereof 住友化学株式会社 2019-04-16 CN disclosed
CN-109312167-A Resin combination and its application 住友化学株式会社 2019-02-05 CN disclosed
CN-109311270-A Laminate, building material, building, and heat-insulating container 住友化学株式会社 2019-02-05 CN disclosed
CN-109312017-A Polymer, molded article, foam, resin composition, and method for producing polymer 住友化学株式会社 2019-02-05 CN disclosed
CN-108291091-A Resin product and drug effect component slow release equipment 住友化学株式会社 2018-07-17 CN disclosed
CN-107001524-A Polymer 住友化学株式会社 2017-08-01 CN disclosed