SCHEMBL7940124

SCHEMBL7940124

CC=CC=CC(O)CC[O]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
GAPDH P04406 2/20 0.39
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
FPR2 P25090 3/20 0.35
CMKLR1 Q99788 1/20 0.34
PPARG P37231 2/20 0.33
GPR132 Q9UNW8 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LTB4R2 Q9NPC1 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LTB4R Q15722 1/20 0.32

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
SCHEMBL15550958 0.79 ACHE (0.46) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL15550959 0.79 ACHE (0.46) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL5868361 0.79 ACHE (0.37) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL5868366 0.79 ACHE (0.37) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL3002734 0.77 ACHE (0.44) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL2999795 0.77 ACHE (0.44) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL2999801 0.77 ACHE (0.44) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL5682455 0.76 ACHE (0.61) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL1988539 0.76 ACHE (0.43) ACHEBACE1GAPDHMAPTTRPA1
SCHEMBL5682439 0.76 ACHE (0.61) ACHEBACE1GAPDHMAPTTRPA1

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-0639636-B1 Germicidal-disinfectant detergent composition KAO CORP (JP) 2001-10-31 EP claimed