SCHEMBL23398944

SCHEMBL23398944

CCc1cc(=O)n(C(C)C)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAD51 Q06609 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23401067 0.82 DAO (0.43) DAOGAAALDH1A1
SCHEMBL23398678 0.82 DAO (0.42) DAOGAA
SCHEMBL11398466 0.78 CYP2D6 (0.37) DAOGAAALDH1A1SMN1; SMN2
SCHEMBL23399923 0.74 ALDH1A1 (0.35) DAOGAARAD51ALDH1A1SMN1; SMN2
SCHEMBL9498657 0.72 KDM4E (0.40) GAARAD51ALDH1A1SMN1; SMN2
SCHEMBL23399391 0.72 DAO (0.39) DAOGAAALDH1A1
SCHEMBL11408369 0.71 GPR139 (0.35) GAARAD51ALDH1A1
SCHEMBL11397360 0.70 PDE2A (0.42) DAO
SCHEMBL23400008 0.68 DAO (0.35) DAORAD51
SCHEMBL23400541 0.68 ALDH1A1 (0.47) DAOGAAALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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