SCHEMBL9299133

SCHEMBL9299133

CCOC(=O)C=Cc1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
HDAC3 O15379 7/20 0.35
HDAC4 P56524 7/20 0.35
HDAC1 Q13547 7/20 0.35
HDAC7 Q8WUI4 7/20 0.35
HDAC2 Q92769 7/20 0.35
HDAC10 Q969S8 7/20 0.35
HDAC11 Q96DB2 7/20 0.35

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
SCHEMBL9299131 1.00 ALOX5 (0.39) ALOX5PDE4APDE4BPDE4CPDE4D
SCHEMBL9299692 0.83 MAPT (0.43) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9299283 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9299687 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9299240 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9299769 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL8077042 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL7269375 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9300068 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL8088661 0.76 PDE4A (0.47) 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 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