SCHEMBL23398678

SCHEMBL23398678

CCCCc1cc(=O)n(C(C)C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.42
▸ GPR84 Q9NQS5 14/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ SHMT2 P34897 1/20 0.34

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
SCHEMBL23398944 0.82 DAO (0.35) DAOGAA
SCHEMBL23402464 0.78 DAO (0.41) DAOGPR84KMT2AHCAR3HCAR2
SCHEMBL23402985 0.77 DAO (0.46) DAOGPR84KMT2AGAAHCAR3
SCHEMBL23401067 0.77 DAO (0.43) DAOGPR84KMT2AGAA
SCHEMBL23399030 0.75 DAO (0.44) DAOGPR84KMT2AHCAR3HCAR2
SCHEMBL23403551 0.74 KMT2A (0.54) DAOGPR84KMT2AHCAR3HCAR2
SCHEMBL23401204 0.74 KMT2A (0.46) DAOGPR84KMT2AHCAR3HCAR2
SCHEMBL23403700 0.72 DAO (0.42) DAOGPR84KMT2AHCAR3HCAR2
SCHEMBL23403253 0.69 TSHR (0.56) DAOKMT2AGAA
SCHEMBL9414206 0.68 KMT2A (0.48) DAOGPR84KMT2A

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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