SCHEMBL25237189

SCHEMBL25237189

CCCCCCCCCC(O)/C=C\O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
DDAH1 O94760 1/20 0.59
GAPDH P04406 1/20 0.59
MAPT P10636 1/20 0.59
PPARG P37231 2/20 0.47
GPR132 Q9UNW8 1/20 0.47
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
FPR2 P25090 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL3131038 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL21552046 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL3131030 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL14243849 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL21552047 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL215822 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL10436102 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL10436101 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL11237485 0.91
SCHEMBL28354972 0.88 TRPA1 (0.65) TRPA1DDAH1GAPDHMAPTPPARG

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
EP-3795576-B1 1,3-FATTY DIOL COMPOUNDS AND GLYCOSYLATED DERIVATIVES THEREOF GENOMATICA INC (US) 2023-06-07 EP disclosed