SCHEMBL23403155

SCHEMBL23403155

Cc1c(C(C)C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ DAO P14920 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
SCHEMBL23401086 0.82 — —
SCHEMBL23399676 0.82 SMN1; SMN2 (0.39) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23403152 0.78 ALDH1A1 (0.34) ALDH1A1DAO
SCHEMBL23400088 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402736 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399380 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23399326 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23398604 0.76 PDE4A (0.38) SMN1; SMN2MEN1ALDH1A1MAPTKMT2A
SCHEMBL23398899 0.76 SMN1; SMN2 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23400745 0.72 NOX4 (0.32) —

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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