SCHEMBL23399860

SCHEMBL23399860

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE2A O00408 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ RGS4 P49798 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL23399708 0.82 SMN1; SMN2 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23398899 0.82 SMN1; SMN2 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23400290 0.79 MEN1 (0.34) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23401402 0.79 MEN1 (0.34) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399676 0.77 SMN1; SMN2 (0.39) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402312 0.77 MEN1 (0.33) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23400970 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23398470 0.75 SMN1; SMN2 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399714 0.74 PDE4A (0.37) MEN1ALDH1A1HPGDKMT2ARGS4
SCHEMBL23399680 0.72 ALDH1A1 (0.30) ALDH1A1

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