SCHEMBL23401459

SCHEMBL23401459

CCCCc1[nH]n(CC(C)C)c(=O)c1CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ GRM5 P41594 1/20 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
SCHEMBL23400921 0.91 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402577 0.91 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401351 0.89 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400440 0.89 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23403181 0.88 KDM4E (0.32) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402460 0.88 PDE4A (0.34) MEN1ALDH1A1HPGDKMT2ARGS4
SCHEMBL23401381 0.88 HTT (0.32) HTTGRM5
SCHEMBL23402360 0.86 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400165 0.84 MEN1 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402316 0.84 SMN1; SMN2 (0.36) MEN1ALDH1A1POLBMAPTHPGD

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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