SCHEMBL23398500

SCHEMBL23398500

Cc1cccc(-c2[nH]n(C(C)(C)C)c(=O)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALKBH3 Q96Q83 1/20 0.41
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PBRM1 Q86U86 1/20 0.37
MAPK14 Q16539 1/20 0.36
CDC7 O00311 1/20 0.36
RIPK2 O43353 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TYMP P19971 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23400378 0.88 ALDH1A1 (0.39) ALDH1A1ALKBH3NOTUMKMT2AGAA
SCHEMBL23400472 0.84 ALKBH3 (0.46) ALDH1A1ALKBH3NOTUMKMT2AGAA
SCHEMBL23401430 0.84 GAA (0.49) ALDH1A1ALKBH3KMT2AGAAMEN1
SCHEMBL23403580 0.83 ALDH1A1 (0.38) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23400180 0.83 ALKBH3 (0.43) ALDH1A1ALKBH3NOTUMKMT2AGAA
SCHEMBL23399316 0.81 CYBB (0.42) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23401526 0.81 GAA (0.49) ALDH1A1ALKBH3NOTUMKMT2AGAA
SCHEMBL23401370 0.80 KDM4E (0.38) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23399743 0.80 ALDH1A1 (0.36) ALDH1A1NOTUMKMT2AGAAMEN1
SCHEMBL23401049 0.80 MAPK14 (0.41) ALDH1A1ALKBH3NOTUMKMT2AMEN1

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