SCHEMBL23398561

SCHEMBL23398561

Cc1[nH]n(C(C)(C)C)c(=O)c1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KDM5A P29375 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL23400283 0.82 LMNA (0.31) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399138 0.81 LMNA (0.31) LMNAMAPTHTTSMN1; SMN2
SCHEMBL23403573 0.81 LMNA (0.31) LMNAMAPTHTTSMN1; SMN2
SCHEMBL23402202 0.79 ALDH1A1 (0.42) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400528 0.79 LMNA (0.30) LMNAMAPTHTTSMN1; SMN2
SCHEMBL23401484 0.77 — —
SCHEMBL23401209 0.76 KDM4E (0.43) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23403038 0.76 HPD (0.35) KDM5AMAPTSMN1; SMN2
SCHEMBL23398911 0.75 GAA (0.40) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400823 0.74 KDM5A (0.33) KDM5A

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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