SCHEMBL23400815

SCHEMBL23400815

CCCc1c(C(C)C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23400766 0.90 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23403552 0.86 TYMP (0.31) —
SCHEMBL23399326 0.86 SMN1; SMN2 (0.36) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402697 0.84 ALDH1A1 (0.33) MEN1ALDH1A1HTTKMT2A
SCHEMBL23403682 0.83 MEN1 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401782 0.83 KDM4E (0.38) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402736 0.82 SMN1; SMN2 (0.36) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23403436 0.81 PDE4A (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL23402886 0.81 MEN1 (0.34) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401951 0.80 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD

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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