SCHEMBL9299657

SCHEMBL9299657

CC1(C)C=C(n2ccc(CCOS(C)(=O)=O)cc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAOB P27338 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
KCNE1 P15382 3/20 0.30
KCNQ1 P51787 3/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
KCND3 Q9UK17 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
SCHEMBL9300301 0.95 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9300127 0.94 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9300660 0.91 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9301527 0.86 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9300071 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299446 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299502 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299231 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299222 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9301417 0.83 PDE4A (0.40) 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 2 patents. 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
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed