SCHEMBL30003447

SCHEMBL30003447

O=C1C(Cl)=C(Cl)C(=O)c2c(O)cccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.72
▸ MAPT P10636 8/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ TDP1 Q9NUW8 5/20 0.69
▸ MAPK1 P28482 4/20 0.69
▸ HPGD P15428 4/20 0.69
▸ ALOX15 P16050 4/20 0.69
▸ HSD17B10 Q99714 4/20 0.69
▸ TSHR P16473 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ MAOB P27338 2/20 0.69
▸ HTT P42858 1/20 0.69
▸ AURKA O14965 2/20 0.59
▸ AURKB Q96GD4 2/20 0.59
▸ STAT3 P40763 2/20 0.55
▸ IDO1 P14902 2/20 0.54
▸ DNMT1 P26358 1/20 0.54
▸ DNMT3L Q9UJW3 1/20 0.54
▸ DNMT3A Q9Y6K1 1/20 0.54

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
SCHEMBL10402000 1.00 MAOA (0.72) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL11157538 0.92 MAOA (0.65) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL23271826 0.85 MAOA (0.62) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL30003503 0.85 MAOA (0.62) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL5174518 0.85 MAOA (0.62) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29363946 0.84 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL187843 0.84 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29874705 0.84 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL28419741 0.82 MAOA (0.95) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL29356886 0.82 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 — — CN disclosed
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