SCHEMBL23401416

SCHEMBL23401416

CCc1c(C)[nH]n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ FPR1 P21462 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPD P32754 6/20 0.36
▸ GLA P06280 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ NOX4 Q9NPH5 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL23403025 0.83 KDM4E (0.42) ALDH1A1GAAHPGDKDM4EHPD
SCHEMBL23400903 0.81 NPC1 (0.39) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL23401585 0.77 MEN1 (0.33) ALDH1A1HPGDCYP1A2FPR1KDM5A
SCHEMBL23399156 0.77 SMN1; SMN2 (0.36) ALDH1A1MAPTGAAHPGDCYP1A2
SCHEMBL23403038 0.77 HPD (0.35) MAPTKDM5AHPDMAPK1TDP1
SCHEMBL23399878 0.76 ALDH1A1 (0.36) ALDH1A1MAPTGAAHPGDCYP1A2
SCHEMBL23403244 0.74 PDE4A (0.38) ALDH1A1MAPTGAAHPGDCYP1A2
SCHEMBL23401480 0.72 ALDH1A1 (0.35) ALDH1A1MAPTGAAHPGDCYP1A2
SCHEMBL23401969 0.72 MEN1 (0.31) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL23401055 0.72 KDM4E (0.33) ALDH1A1HPGDKDM4EMEN1KMT2A

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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