SCHEMBL23399492

SCHEMBL23399492

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TYMP P19971 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
SCHEMBL23398983 0.90 KDM4E (0.33) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23400790 0.85 GAA (0.32) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23400050 0.80 TYMP (0.31) TYMP
SCHEMBL23401209 0.80 KDM4E (0.43) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23402696 0.80 KDM4E (0.31) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23402123 0.79 KDM4E (0.31) KDM4EGAAALDH1A1CYP2C9CYP2C19
SCHEMBL23400682 0.79 TYMP (0.30) TYMP
SCHEMBL23401372 0.77 ALDH1A1 (0.32) KDM4EALDH1A1MEN1KMT2A
SCHEMBL23399138 0.77 LMNA (0.31) —
SCHEMBL23401979 0.76 LMNA (0.30) —

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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