SCHEMBL28212555

SCHEMBL28212555

O=CC(=O)c1c2cccc(F)c2cc2c(O)ccc(O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ SNCA P37840 2/20 0.37
▸ APP P05067 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DAO P14920 1/20 0.34
▸ DDO Q99489 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ P4HB P07237 1/20 0.31

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
SCHEMBL28212568 0.90 MAPT (0.40) TDP1SNCAAPPMAPTTHRB
SCHEMBL28025137 0.82 ERN1 (0.34) SNCAERN1
SCHEMBL27847437 0.78 CYP1A2 (0.43) TDP1SNCAAPPMAPTTHRB
SCHEMBL6272157 0.70 CES2 (0.58) TDP1CES2CES1ERN1ABCG2
SCHEMBL28002137 0.70 CES2 (0.37) TDP1MAPTHPGDHSD17B10DAO
SCHEMBL28817015 0.69 CES2 (0.36) TDP1MAPTHPGDHSD17B10DAO
SCHEMBL27762194 0.68 MAPT (0.52) TDP1SNCAAPPMAPTTHRB
SCHEMBL28873887 0.68 KDM4E (0.39) MAPTHPGDHSD17B10ERN1ABCG2
SCHEMBL28025138 0.67 CYP1A2 (0.46) TDP1HPGDHSD17B10ERN1HSD17B1
SCHEMBL27834496 0.67 ALDH1A1 (0.41) TDP1MAPTHPGDHSD17B10CES2

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
CN-104837814-B Novel compound and use thereof 拜欧斯戴特斯公司 2018-04-17 — — CN disclosed
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