SCHEMBL23401040

SCHEMBL23401040

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

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 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
SCHEMBL23399138 0.81 LMNA (0.31) —
SCHEMBL23398745 0.81 — —
SCHEMBL23400636 0.80 HTT (0.33) PDE2APDE1APDE1BPDE1C
SCHEMBL23401969 0.79 MEN1 (0.31) —
SCHEMBL23401913 0.79 SMN1; SMN2 (0.34) PDE2APDE1APDE1BPDE1C
SCHEMBL23403206 0.78 PDE4A (0.33) —
SCHEMBL23400050 0.76 TYMP (0.31) —
SCHEMBL23398530 0.76 KDM5A (0.31) —
SCHEMBL23403038 0.76 HPD (0.35) —
SCHEMBL23403134 0.74 KDM5A (0.31) —

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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