Tridecane

Tridecane

SCHEMBL27760720

CCCCCCCCCCCCC.O=C(O)CC(C(=O)O)S(=O)(=O)O.[NaH]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 14/20 0.47
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
FFAR1 O14842 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE3A Q14432 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 SCHEMBL28723742 1.00 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
Dodecane SCHEMBL27762128 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
Octane SCHEMBL27438093 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
Tridecane SCHEMBL27760783 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
Dodecanol SCHEMBL28381619 0.95 TSHR (0.43) GPR84PPARGPPARDPPARAHDAC11
Tridecan-1-Ol SCHEMBL28194600 0.95 TSHR (0.43) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28463495 0.93 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28352791 0.93 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL28412282 0.93 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL15210014 0.93 GPR84 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563140-B Aqueous quaternary ammonium and/or phosphonium compositions which are suds suppressible LONZA AG 2013-06-19 CN disclosed
CN-101563140-A Aqueous quaternary ammonium and/or phosphonium compositions which are suds suppressible LONZA AG (US) 2009-10-21 CN disclosed