SCHEMBL23399157

SCHEMBL23399157

CCCc1[nH]n(C(C)(C)C)c(=O)c1C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ 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

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
SCHEMBL23399247 0.90 KDM4E (0.32) —
SCHEMBL23402783 0.85 GAA (0.32) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23400083 0.80 GAA (0.34) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23402696 0.80 KDM4E (0.31) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23402146 0.80 — —
SCHEMBL23398609 0.79 GAA (0.30) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23398447 0.77 LMNA (0.31) —
SCHEMBL23400200 0.77 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL23399431 0.76 TYMP (0.33) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23402123 0.75 KDM4E (0.31) GAAALDH1A1CYP2C9CYP2C19MEN1

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
Send feedback