SCHEMBL6574602

SCHEMBL6574602

CC(C)(C(=O)O)C(=O)O.Cc1ccc(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 2/20 0.38
▸ HAAO P46952 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 2/20 0.35

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
SCHEMBL195882 0.89 CYP1A2 (0.44) HAAOGABRPGABRDGABRA1GABRB1
Water SCHEMBL27552128 0.87 HAAO (0.42) HAAOGABRPGABRDGABRA1GABRB1
SCHEMBL9249101 0.87 HAAO (0.42) HAAOGABRPGABRDGABRA1GABRB1
SCHEMBL9408349 0.87 HAAO (0.42) HAAOGABRPGABRDGABRA1GABRB1
Ammonia Solution, Strong SCHEMBL28622226 0.87 HAAO (0.42) HAAOGABRPGABRDGABRA1GABRB1
Cyclohexane SCHEMBL9558619 0.83 HAAO (0.40) HAAOGABRPGABRDGABRA1GABRB1
SCHEMBL27886205 0.80 HAAO (0.38) HAAOGABRPGABRDGABRA1GABRB1
Sulfuric Acid SCHEMBL4611662 0.80 HAAO (0.38) HAAOGABRPGABRDGABRA1GABRB1
Sulfuric Acid SCHEMBL4611664 0.79 METAP2 (0.39) HAAOALDH1A1CYP1A2KDM4EHPGD
Sulfuric Acid SCHEMBL4611666 0.77 METAP2 (0.38) HAAOALDH1A1CYP1A2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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