SCHEMBL11022099

SCHEMBL11022099

CCc1[nH]c(=O)c(C#N)cc1C(=O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
KDM4E B2RXH2 12/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 6/20 0.39
HPGD P15428 5/20 0.39
GAA P10253 2/20 0.38
GALR3 O60755 1/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDE5A O76074 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9477815 0.90 PDE3B (0.50) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11018929 0.89 PDE3B (0.54) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL10855999 0.87 PDE3B (0.48) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11020979 0.87 PDE3B (0.48) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11022787 0.86 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11015886 0.86 PDE3B (0.47) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL10811815 0.85 PDE3B (0.51) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL10810198 0.85 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11019489 0.85 PDE3B (0.46) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL10805720 0.83 PDE3B (0.45) PDE3BPDE3AKDM4EHSD17B10MAPT

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed