SCHEMBL23399878

SCHEMBL23399878

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ KDM5B Q9UGL1 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CTDSP1 Q9GZU7 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
SCHEMBL23399156 0.83 SMN1; SMN2 (0.36) ALDH1A1GAAMAPTHPGDKDM5A
SCHEMBL23402619 0.82 NPC1 (0.38) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL23403244 0.80 PDE4A (0.38) ALDH1A1GAAMAPTHPGDKDM5A
SCHEMBL23402092 0.80 ALDH1A1 (0.36) ALDH1A1GAAMAPTHPGDKDM5A
SCHEMBL23399977 0.78 KDM4E (0.32) ALDH1A1HPGDKDM4E
SCHEMBL23398396 0.77 ALKBH3 (0.31) —
SCHEMBL23401416 0.76 ALDH1A1 (0.37) ALDH1A1GAAMAPTHPGDKDM5A
SCHEMBL23401614 0.75 KDM4E (0.30) ALDH1A1HPGDKDM4E
SCHEMBL22292178 0.74 — —
SCHEMBL19934955 0.74 CYP1A2 (0.36) ALDH1A1GAAMAPTHPGDCYP1A2

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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