SCHEMBL23400766

SCHEMBL23400766

CCCCc1c(C(C)C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ PKM P14618 1/20 0.31
▸ DCTPP1 Q9H773 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
SCHEMBL23400815 0.90 MEN1 (0.35) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23402748 0.87 TYMP (0.34) ALDH1A1FFAR1MAPTHPGDHTT
SCHEMBL23398495 0.85 NPC1 (0.35) ALDH1A1FFAR1MEN1POLBMAPT
SCHEMBL23400855 0.85 TYMP (0.33) ALDH1A1FFAR1HPGDHTTSMN1; SMN2
SCHEMBL23399437 0.85 PDE4A (0.36) ALDH1A1FFAR1MEN1HPGDHTT
SCHEMBL23400921 0.84 ALDH1A1 (0.33) ALDH1A1FFAR1MEN1POLBMAPT
SCHEMBL23399326 0.83 SMN1; SMN2 (0.36) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23402360 0.83 ALDH1A1 (0.33) ALDH1A1FFAR1MEN1POLBMAPT
SCHEMBL23401231 0.83 ALDH1A1 (0.33) ALDH1A1FFAR1MEN1POLBMAPT
SCHEMBL23399752 0.81 ALDH1A1 (0.33) ALDH1A1FFAR1MEN1POLBMAPT

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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