SCHEMBL29211131

SCHEMBL29211131

CCCCCCCC(O)(C#CC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ GAA P10253 1/20 0.43
▸ SCN5A Q14524 3/20 0.42
▸ SCN9A Q15858 3/20 0.42
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ KIF11 P52732 1/20 0.37

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
SCHEMBL31314899 1.00 CHRM2 (0.46) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL29211095 0.98 CHRM2 (0.46) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL29211091 0.94 CHRM2 (0.46) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL29211072 0.88 CYP2C19 (0.40) CHRM2CHRM3GAAKIF11
SCHEMBL3185829 0.81 GAA (0.39) GAASCN5ASCN9ACES2CES1
SCHEMBL222867 0.81 CYP2C19 (0.39) CHRM2CHRM3KIF11
SCHEMBL12099349 0.80 CHRM2 (0.44) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL15875035 0.78 CHRM2 (0.44) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL9277669 0.78 CHRM2 (0.44) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL28983000 0.76 SIGMAR1 (0.46) CHRM2CHRM3GAASCN5ASCN9A

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
CN-117529377-A Organic binder, composition for producing inorganic material molded body, green body, degreased body, inorganic material molded body, and method for producing inorganic material molded body 株式会社吴羽 2024-02-06 — — CN disclosed
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