SCHEMBL9685249

SCHEMBL9685249

CC1(C)C=C(n2ccc(C(CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)cc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DUT P33316 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL9299228 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL9300294 0.85 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL9300535 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL9300307 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDUT
SCHEMBL9299502 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DDUT
SCHEMBL9299900 0.82 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL9299713 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL9299999 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL9299993 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL9300304 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D

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-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed