SCHEMBL20064307

SCHEMBL20064307

CC(=O)[C@H]1C[C@H](Oc2cc(F)ccc2OC(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.44
PDE4B Q07343 11/20 0.44
PDE4A P27815 10/20 0.44
PDE4C Q08493 10/20 0.44
IDO1 P14902 1/20 0.38
RBP4 P02753 1/20 0.37
SLC6A4 P31645 2/20 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
SCHEMBL21222215 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CIDO1
SCHEMBL20063990 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CIDO1
SCHEMBL20064124 0.87 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CSLC6A4
SCHEMBL21222626 0.87 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CSLC6A4
SCHEMBL21227936 0.86 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL21227833 0.86 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL21227907 0.86 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CIDO1
SCHEMBL21227928 0.80 PDE4D (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL20064976 0.79 KMT2A (0.40) PDE4DPDE4BPDE4APDE4CIDO1
SCHEMBL21222444 0.78 SLC6A4 (0.39) PDE4DPDE4BPDE4APDE4CIDO1

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
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed