SCHEMBL6550416

SCHEMBL6550416

CC(=O)Oc1ccc(C(C)=O)cc1OC(C)=O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
RAB9A P51151 2/20 0.75
KDM4E B2RXH2 2/20 0.75
ALDH1A1 P00352 2/20 0.75
GAA P10253 1/20 0.75
TOP1 P11387 4/20 0.63
PKM P14618 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CREBBP Q92793 1/20 0.47
CFD P00746 1/20 0.47
TNFSF11 O14788 1/20 0.46
NR3C1 P04150 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10830995 0.90 TSHR (0.67) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL2997461 0.90 TSHR (0.77) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL640263 0.86 TSHR (1.00) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL30154503 0.86 TSHR (1.00) TSHRRAB9AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL9650466 0.84 TSHR (0.96) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL9160438 0.84 TSHR (0.55) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL10697221 0.84 TSHR (0.70) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL8830836 0.84 TSHR (0.70) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL9730331 0.84 TSHR (0.70) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL8350070 0.84 TSHR (0.70) TSHRRAB9AKDM4EALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483442-A2 NOVEL CATALYTIC ACTIVITIES OF OXIDOREDUCTASES FOR OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-12-08 EP disclosed
EP-1436371-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-07-14 EP disclosed
WO-2003061550-A2 NOVEL CATALYTIC ACTIVITIES OF OXIDOREDUCTASES FOR OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2003-07-31 WO disclosed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO disclosed
EP-1012376-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS Blume, Hildegard (DE) 2000-06-28 EP disclosed
WO-1998059108-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS BLUME, HILDEGARD (DE) 1998-12-30 WO disclosed