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SCHEMBL22222825

SCHEMBL22222825

CC(C)CN(Cc1ccccc1-c1ccccc1)C1C[C@@H](CNC(=O)c2ccc(/C=C3\SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 18/20 1.00
▸ PLA2G4C Q9UP65 2/20 0.65
▸ PLA2G6 O60733 1/20 0.63
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38

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
SCHEMBL29862419 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL1684101 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL16908822 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL19689390 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL1684102 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL22187692 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL22222832 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL22222829 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL29380622 0.92 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6
SCHEMBL3690078 0.87 PLA2G4A (1.00) PLA2G4APLA2G4CPLA2G6

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
WO-2020144192-A1 USE OF ARACHIDONYL TRIFLUOROMETHYL KETONE MOSAIQUES DIAGNOSTICS UND THERAPEUTICS AG (DE) 2020-07-16 — — WO disclosed