SCHEMBL9299235

SCHEMBL9299235

CC1(C)C=C(n2cc(C(O)O)ccc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ABCC9 O60706 6/20 0.35
MALT1 Q9UDY8 1/20 0.34
ABCB1 P08183 8/20 0.33
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
ALK Q9UM73 1/20 0.32
MAOB P27338 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7267833 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL7267642 0.84 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8084447 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9299424 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8077161 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9300325 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9299694 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8085320 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8088372 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9299270 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DABCC9

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