SCHEMBL23401209

SCHEMBL23401209

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ TYMP P19971 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM5A P29375 1/20 0.31

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
SCHEMBL23398911 0.91 GAA (0.40) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23402202 0.85 ALDH1A1 (0.42) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23402696 0.81 KDM4E (0.31) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23399492 0.80 KDM4E (0.31) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23402123 0.80 KDM4E (0.31) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23399431 0.77 TYMP (0.33) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23401979 0.77 LMNA (0.30) SMN1; SMN2
SCHEMBL23398561 0.76 GAA (0.40) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23398609 0.76 GAA (0.30) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23403025 0.75 KDM4E (0.42) KDM4EGAAALDH1A1DCTPP1HPGD

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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