SCHEMBL9299502

SCHEMBL9299502

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
DUT P33316 2/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL9300307 0.95 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDUT
SCHEMBL9299713 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299228 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL9299657 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9300071 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9301527 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299446 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9685249 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDUT
SCHEMBL9299222 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299888 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB

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
US-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed