SCHEMBL30003398

SCHEMBL30003398

CC1=C(O)C(=O)c2c(Cl)cccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.43
▸ AR P10275 2/20 0.43
▸ MAOA P21397 2/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAP2K7 O14733 1/20 0.41
▸ TRPA1 O75762 1/20 0.41

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
SCHEMBL23271809 1.00 NSD2 (0.43) NSD2ARMAOASTAT3ALDH1A1
SCHEMBL30003414 0.85 NSD2 (0.47) NSD2ARCYP1A1CYP1A2CDC25A
SCHEMBL11144501 0.85 APAF1 (0.54) NSD2ARMAOAALDH1A1MAPT
SCHEMBL23271726 0.85 NSD2 (0.47) NSD2ARCYP1A1CYP1A2CDC25A
Droserone SCHEMBL5858407 0.81 MAOA (0.67) MAOASTAT3ALDH1A1MAPTHPGD
Droserone SCHEMBL30003199 0.81 MAOA (0.67) MAOASTAT3ALDH1A1MAPTHPGD
SCHEMBL125609 0.78 NSD2 (0.55) NSD2MAOAALDH1A1MAPTHPGD
SCHEMBL28604279 0.78 MAOA (0.45) NSD2ARMAOAALDH1A1MAPT
SCHEMBL27776634 0.77 AR (0.48) NSD2ARMAOAALDH1A1MAPT
SCHEMBL122441 0.76 NSD2 (0.62) NSD2ARMAOAALDH1A1MAPT

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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