SCHEMBL7870030

SCHEMBL7870030

CCCCCCCCC(O)/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
BACE1 P56817 1/20 0.56
TRPA1 O75762 1/20 0.53
DDAH1 O94760 1/20 0.53
GAPDH P04406 1/20 0.53
MAPT P10636 1/20 0.53
PPARG P37231 2/20 0.51
FPR2 P25090 2/20 0.51
GPR132 Q9UNW8 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
OXER1 Q8TDS5 1/20 0.50
LTB4R2 Q9NPC1 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LTB4R Q15722 1/20 0.46
FAAH O00519 1/20 0.44

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
SCHEMBL7870031 1.00 ACHE (0.56) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL29001105 0.88 TRPA1 (0.50) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL7862245 0.87 ACHE (0.58) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL3089270 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL1141420 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL1141419 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL15048747 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL3969741 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL1374447 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL3089267 0.81 ACHE (0.84) ACHEBACE1TRPA1DDAH1GAPDH

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-6306907-B1 Antipsychotic TAIYO FISHERY CO., LTD. (JP) 2001-10-23 US claimed