SCHEMBL23402357

SCHEMBL23402357

Cc1ccc(-c2c(-c3cccc(C)c3)[nH]n(C(C)C)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.40
▸ FYN P06241 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPK14 Q16539 5/20 0.36
▸ MAT2A P31153 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 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
SCHEMBL23400862 0.93 ALKBH3 (0.44) ALKBH3ALDH1A1POLBMAPK1MAT2A
SCHEMBL23398738 0.87 ALKBH3 (0.45) ALKBH3ALDH1A1MAT2AHPGD
SCHEMBL23399214 0.87 ALKBH3 (0.45) ALKBH3ALDH1A1MAT2AHPGD
SCHEMBL23402487 0.87 ALKBH3 (0.38) ALKBH3ALDH1A1MAPK1MAT2AHPGD
SCHEMBL23399769 0.83 ALDH1A1 (0.40) ALKBH3FYNCLK4DYRK1BALDH1A1
SCHEMBL23402673 0.82 ALKBH3 (0.43) ALKBH3FYNCLK4DYRK1BALDH1A1
SCHEMBL23402777 0.81 ALKBH3 (0.38) ALKBH3FYNCLK4DYRK1BALDH1A1
SCHEMBL23402190 0.80 ALKBH3 (0.49) ALKBH3MAPK1L3MBTL1HPGDPPARG
SCHEMBL23402957 0.79 MAT2A (0.46) ALKBH3ALDH1A1MAT2AHPGD
SCHEMBL23400558 0.78 ALDH1A1 (0.38) FYNCLK4DYRK1BALDH1A1POLB

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
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