SCHEMBL23399423

SCHEMBL23399423

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
FYN P06241 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAPK14 Q16539 4/20 0.34
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
NOTUM Q6P988 1/20 0.33
CDC7 O00311 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TYMP P19971 1/20 0.33
SIRT1 Q96EB6 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
SCHEMBL23402798 0.88 POLB (0.38) ALDH1A1POLBMAPK1FYNCLK4
SCHEMBL23401762 0.86 CYBB (0.42) ALDH1A1POLBMAPK1FYNCLK4
SCHEMBL23398414 0.85 ALDH1A1 (0.38) ALDH1A1POLBMAPK1MAPK14KMT2A
SCHEMBL23400433 0.85 CYBB (0.39) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL23400615 0.85 KDM4E (0.38) ALDH1A1POLBMAPK1FYNCLK4
SCHEMBL23399237 0.83 MAPT (0.33) ALDH1A1POLBMAPK1KMT2AMEN1
SCHEMBL23398951 0.83 MAPK14 (0.38) ALDH1A1POLBMAPK1MAPK14KMT2A
SCHEMBL23398617 0.83 ALDH1A1 (0.36) ALDH1A1POLBMAPK1MAPK14KMT2A
SCHEMBL23400937 0.82 MAPT (0.43) ALDH1A1MAPK1KMT2AMEN1NPC1
SCHEMBL23399769 0.82 ALDH1A1 (0.40) ALDH1A1POLBMAPK1FYNCLK4

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