SCHEMBL23399743

SCHEMBL23399743

Cc1cccc(-c2[nH]n(C(C)(C)C)c(=O)c2CC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NOTUM Q6P988 1/20 0.35
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK14 Q16539 4/20 0.33
PBRM1 Q86U86 1/20 0.33
THRB P10828 1/20 0.32
GRM2 Q14416 1/20 0.32
CDC7 O00311 1/20 0.32
RIPK2 O43353 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 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
SCHEMBL23403580 0.86 ALDH1A1 (0.38) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23401748 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AGAAMEN1CYP2C9
SCHEMBL23399129 0.84 GAA (0.42) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL23399316 0.84 CYBB (0.42) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23398414 0.83 ALDH1A1 (0.38) ALDH1A1NOTUMKMT2AMEN1POLB
SCHEMBL23401370 0.82 KDM4E (0.38) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23399423 0.82 ALDH1A1 (0.37) ALDH1A1NOTUMKMT2AMEN1POLB
SCHEMBL23398951 0.81 MAPK14 (0.38) ALDH1A1NOTUMKMT2AMEN1POLB
SCHEMBL23398617 0.81 ALDH1A1 (0.36) ALDH1A1NOTUMKMT2AMEN1POLB
SCHEMBL23398500 0.80 ALDH1A1 (0.43) ALDH1A1NOTUMKMT2AGAAMEN1

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