SCHEMBL23399559

SCHEMBL23399559

Cc1cccc(-n2[nH]c(C(C)C)cc2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 4/20 0.58
MAPT P10636 3/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOD1 Q9Y239 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
ALOX5 P09917 3/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL5976229 0.83 MAPT (0.56) ALKBH5MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL23402704 0.82 ALKBH5 (0.48) ALKBH5MAPTTDP1MGLLL3MBTL1
SCHEMBL5675303 0.80 ALKBH5 (0.65) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23400182 0.78 ALKBH5 (0.58) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23400638 0.78 ALKBH5 (0.55) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL5673458 0.77 ALKBH5 (0.61) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23400828 0.77 ALKBH5 (0.57) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL13562672 0.77 ALKBH5 (0.60) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23400434 0.75 L3MBTL1 (0.71) ALKBH5MAPTTNFNOD2TDP1
SCHEMBL23401362 0.75 ALKBH5 (0.58) ALKBH5MAPTTNFNOD2TDP1

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