SCHEMBL23399156

SCHEMBL23399156

CCCn1[nH]c(C)c(CC)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.33
▸ POLB P06746 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CTDSP1 Q9GZU7 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30

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
SCHEMBL23403244 0.89 PDE4A (0.38) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL23400100 0.86 KDM4E (0.40) SMN1; SMN2ALDH1A1GAAHPGDKDM5A
SCHEMBL23398946 0.85 NPC1 (0.38) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL23399878 0.83 ALDH1A1 (0.36) ALDH1A1MAPTGAAHPGDCYP1A2
SCHEMBL23402954 0.82 HTT (0.35) ALDH1A1KDM5A
SCHEMBL23401153 0.80 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL23401326 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1HPD
SCHEMBL23402092 0.77 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL23402706 0.77 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL23401416 0.77 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTGAAHPGD

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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