SCHEMBL23403674

SCHEMBL23403674

Cc1[nH]n(CC(C)C)c(=O)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM5A P29375 1/20 0.33
▸ 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
SCHEMBL23402092 0.85 ALDH1A1 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402954 0.82 HTT (0.35) ALDH1A1HTTKDM5A
SCHEMBL23401782 0.82 KDM4E (0.38) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402736 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402316 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23398495 0.81 NPC1 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23401448 0.80 PDE4A (0.35) MEN1KMT2AKDM5ATDP1L3MBTL1
SCHEMBL23400165 0.79 MEN1 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399676 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23403038 0.77 HPD (0.35) SMN1; SMN2MAPTKDM5ATSHRTDP1

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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