SCHEMBL6686309

SCHEMBL6686309

CCCCCCCCCCCCCCCC(O)C(O)(O)C(=O)O.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
HSPD1 P10809 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
NFKB1 P19838 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
SCHEMBL7148025 0.98 GPR84 (0.53) GPR84FFAR1HSPD1BLMHSPE1
SCHEMBL18322324 0.98 GPR84 (0.53) GPR84FFAR1HSPD1BLMHSPE1
SCHEMBL9297272 0.98 GPR84 (0.53) GPR84FFAR1HSPD1BLMHSPE1
SCHEMBL325989 0.98 GPR84 (0.53) GPR84FFAR1HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL10519337 0.96 GPR84 (0.52) GPR84FFAR1HSPD1BLMHSPE1
Ethylene Glycol SCHEMBL26926887 0.93 GPR84 (0.48) GPR84FFAR1HSPD1BLMHSPE1
Glycerin SCHEMBL158648 0.91 GPR84 (0.49) GPR84FFAR1HSPD1BLMHSPE1
Glycerin SCHEMBL76901 0.91 GPR84 (0.49) GPR84FFAR1HSPD1BLMHSPE1
SCHEMBL28356481 0.91 GPR84 (0.47) GPR84FFAR1HSPD1BLMHSPE1
SCHEMBL3299285 0.90 CA2 (0.43) GPR84FFAR1HSPD1BLMHSPE1

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
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO disclosed