SCHEMBL23399676

SCHEMBL23399676

Cc1[nH]n(CC(C)C)c(=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ HPD P32754 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL23403155 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23403674 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23400088 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399380 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402092 0.79 ALDH1A1 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23398470 0.77 SMN1; SMN2 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399860 0.77 SMN1; SMN2 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23400936 0.76 MEN1 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23398396 0.76 ALKBH3 (0.31) —
SCHEMBL23401326 0.72 ALDH1A1 (0.37) ALDH1A1L3MBTL1HPD

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
Send feedback