SCHEMBL4760946

SCHEMBL4760946

CC(O)CCCCC(O)/C=C/C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4760949 1.00 ACHE (0.53) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL2494371 0.84 ACHE (0.68) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL2494373 0.84 ACHE (0.68) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL15529676 0.84 ACHE (0.68) ACHEBACE1MAPTALDH1A1TRPA1
SCHEMBL15529675 0.84 ACHE (0.68) ACHEBACE1MAPTALDH1A1TRPA1
SCHEMBL9682170 0.82 ACHE (0.66) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL7077271 0.82 ACHE (0.66) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8985063 0.82 ACHE (0.66) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8985065 0.82 ACHE (0.66) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8828537 0.82 ACHE (0.66) ACHEBACE1MAPTTRPA1DDAH1

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
JP-2008150348-A NEW COMPOUND YAMADA BEE FARM CORP 2008-07-03 JP disclosed