SCHEMBL29928945

SCHEMBL29928945

COc1cc(-c2cc(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3o2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 1.00
PTGES O14684 1/20 1.00
DYRK1A Q13627 1/20 0.76
DYRK1B Q9Y463 1/20 0.76
AKT1 P31749 2/20 0.67
PTPN1 P18031 1/20 0.65
ABCG2 Q9UNQ0 2/20 0.60
HSD17B2 P37059 1/20 0.59
TAS2R31 P59538 1/20 0.59
MGAM O43451 2/20 0.58
GAA P10253 2/20 0.58
SI P14410 2/20 0.58
SMPD1 P17405 2/20 0.58
MGAM2 Q2M2H8 2/20 0.58
ACHE P22303 2/20 0.56
BCHE P06276 1/20 0.56
ABCB1 P08183 1/20 0.54
ELANE P08246 1/20 0.53

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
SCHEMBL29357680 1.00 ALOX5 (1.00) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL12954625 1.00 ALOX5 (1.00) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL20045161 0.95 ALOX5 (0.90) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL20045168 0.95 ALOX5 (0.90) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL16769856 0.92 PTGES (0.84) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL29359086 0.92 PTGES (0.84) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL26621012 0.88 ALOX5 (0.79) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL3336163 0.87 ALOX5 (0.77) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL3336171 0.87 ALOX5 (0.77) ALOX5PTGESDYRK1ADYRK1BAKT1
SCHEMBL29833892 0.87 ALOX5 (0.77) ALOX5PTGESDYRK1ADYRK1BAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed