Undecanoate

Undecanoate

SCHEMBL504259

CCCCCCCCCCC(=O)O.CCOP(=O)(O)O

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.63
PPARG P37231 7/20 0.63
PPARD Q03181 7/20 0.63
PPARA Q07869 7/20 0.63
HDAC11 Q96DB2 5/20 0.63
TSHR P16473 4/20 0.63
PTPN1 P18031 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TLR2 O60603 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
FABP4 P15090 2/20 0.63
KMT2A Q03164 2/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
MEN1 O00255 1/20 0.63
ESR1 P03372 1/20 0.63
ALOX15 P16050 1/20 0.63
PDE4A P27815 1/20 0.63
PDE3A Q14432 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
Nonanoate SCHEMBL503669 1.00 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL9061636 0.93 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL15561289 0.92 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Hexadecyl Dihydrogen Phosphate SCHEMBL30574477 0.87 LPAR3 (0.75) GPR84PPARGPPARDPPARAHDAC11
Hexadecyl Dihydrogen Phosphate SCHEMBL7943538 0.87 LPAR3 (0.75) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL28877450 0.87 GPR84 (0.61) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL29108894 0.87 LPAR3 (0.75) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL5657 0.86 LPAR3 (0.71) LPAR3LPAR1LPAR2
Behenic Acid SCHEMBL18797443 0.86 LPAR3 (0.72) GPR84PPARGPPARDPPARAHDAC11
Ethyl Hydrogen Hexylphosphonate SCHEMBL27887144 0.86 GPR84 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028033-A1 PHASE-SEPARATED STRUCTURE AND PRODUCTION METHOD THEREFOR TOHOKU UNIVERSITY (JP) 2012-02-02 US disclosed