SCHEMBL23401759

SCHEMBL23401759

CCc1c(CC(C)C)[nH]n(C(C)C)c1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 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
SCHEMBL23401064 0.89 KDM5A (0.31) —
SCHEMBL23398960 0.87 KDM4E (0.30) KDM4EALDH1A1HPGD
SCHEMBL23398697 0.86 — —
SCHEMBL23399367 0.86 — —
SCHEMBL23401965 0.83 KDM4E (0.33) KDM4E
SCHEMBL23403351 0.80 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL23402883 0.79 TYMP (0.30) —
SCHEMBL23400135 0.79 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL23400276 0.78 — —
SCHEMBL23401480 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HPGD

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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