SCHEMBL23403025

SCHEMBL23403025

CCCc1c(C)[nH]n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPD P32754 7/20 0.36
▸ DCTPP1 Q9H773 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33

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
SCHEMBL23400903 0.90 NPC1 (0.39) KDM4ESMN1; SMN2GAAHPDDCTPP1
SCHEMBL23401416 0.83 ALDH1A1 (0.37) KDM4ESMN1; SMN2GAAHPDALDH1A1
SCHEMBL23400100 0.80 KDM4E (0.40) KDM4ESMN1; SMN2GAADCTPP1ALDH1A1
SCHEMBL23401208 0.79 TYMP (0.33) KDM4ETYMP
SCHEMBL10878921 0.78 KDM4E (0.41) KDM4ESMN1; SMN2GAADCTPP1ALDH1A1
SCHEMBL23399703 0.78 POLB (0.33) KDM4ETYMP
SCHEMBL23398883 0.77 KDM4E (0.39) KDM4EGAADCTPP1ALDH1A1HPGD
SCHEMBL23403627 0.75 TYMP (0.31) TYMP
SCHEMBL23401209 0.75 KDM4E (0.43) KDM4ESMN1; SMN2GAADCTPP1ALDH1A1
SCHEMBL23403038 0.73 HPD (0.35) SMN1; SMN2HPD

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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