SCHEMBL22628720

SCHEMBL22628720

CCCCCc1ccc(-c2cc3ccc(OCC(C)(COC(=O)C(C)C)CC(F)(F)F)cc3n2CC)c(OC(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 9/20 0.32

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
SCHEMBL21735137 0.90 PLA2G4A (0.31) PLA2G4A
SCHEMBL22628739 0.84 CNR2 (0.34) PLA2G4A
SCHEMBL22628729 0.84 S1PR1 (0.38)
SCHEMBL21735131 0.83 THRB (0.36)
SCHEMBL22629910 0.83 PCSK9 (0.32)
SCHEMBL21735022 0.82 THRB (0.39) PLA2G4A
SCHEMBL21735486 0.80 PLA2G4A (0.30) PLA2G4A
SCHEMBL22630054 0.79 PSEN1 (0.33) PLA2G4A
SCHEMBL21735140 0.79 PLA2G4A (0.34) PLA2G4A
SCHEMBL22629008 0.78 PPARG (0.34) PLA2G4A

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
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed