SCHEMBL23399280

SCHEMBL23399280

Cc1ccc(-c2[nH]n(C(C)(C)C)c(=O)c2C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL23401526 0.87 GAA (0.49) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23402187 0.85 ALDH1A1 (0.44) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23401248 0.82 ADORA2B (0.38) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23401419 0.82 GAA (0.48) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23400378 0.82 ALDH1A1 (0.39) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23398786 0.79 PTPN1 (0.40) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23400755 0.78 ADORA2A (0.35) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23402580 0.78 GAA (0.44) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23402747 0.78 ADORA2A (0.33) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23400791 0.77 ALKBH3 (0.48) GAAMEN1KMT2ACYP2C9CYP2C19

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