SCHEMBL23400790

SCHEMBL23400790

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ RECQL P46063 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
SCHEMBL23399492 0.85 KDM4E (0.31) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23398983 0.82 KDM4E (0.33) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399138 0.80 LMNA (0.31) —
SCHEMBL23401969 0.78 MEN1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL23402202 0.78 ALDH1A1 (0.42) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401467 0.78 GAA (0.33) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400402 0.77 CYP1A2 (0.30) CYP2C19
SCHEMBL23398609 0.74 GAA (0.30) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401788 0.74 GAA (0.34) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400217 0.74 GAA (0.38) GAACYP2C9CYP2C19ALDH1A1MEN1

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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