SCHEMBL23399129

SCHEMBL23399129

Cc1ccc(-c2[nH]n(C(C)(C)C)c(=O)c2CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.33
CYP3A4 P08684 2/20 0.32
RECQL P46063 1/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 2/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL23401748 0.87 ALDH1A1 (0.40) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23399743 0.84 ALDH1A1 (0.36) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23402580 0.84 GAA (0.44) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23401358 0.82 CYBB (0.45) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23403363 0.81 ADORA2A (0.36) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23398450 0.81 GAA (0.42) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23399237 0.80 MAPT (0.33) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL23398777 0.79 MAPT (0.36) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL23400471 0.79 SMN1; SMN2 (0.46) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL23401526 0.77 GAA (0.49) 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