SCHEMBL23402092

SCHEMBL23402092

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL23401782 0.86 KDM4E (0.38) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23403674 0.85 SMN1; SMN2 (0.36) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23398495 0.84 NPC1 (0.35) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23401687 0.81 SMN1; SMN2 (0.36) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23399326 0.81 SMN1; SMN2 (0.36) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23399878 0.80 ALDH1A1 (0.36) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL23399072 0.79 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23399676 0.79 SMN1; SMN2 (0.39) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23399124 0.77 SMN1; SMN2 (0.34) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL23399156 0.77 SMN1; SMN2 (0.36) ALDH1A1HPGDSMN1; SMN2MAPTMEN1

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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