SCHEMBL28628502

SCHEMBL28628502

COC(=O)CNc1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.59
PDE4D Q08499 13/20 0.59
PDE4A P27815 9/20 0.59
PDE4C Q08493 9/20 0.59
ABCB11 O95342 1/20 0.49

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
SCHEMBL29120991 0.82 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28634406 0.81 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6461060 0.79 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29723540 0.79 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1143518 0.78 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL8320772 0.77 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
Hydrochloric Acid SCHEMBL1144045 0.77 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28310127 0.76 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL132715 0.76 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29240088 0.75 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11

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
CN-112707873-A Substituted oxazole derivative and application thereof in medicine 广东东阳光药业有限公司 2021-04-27 CN disclosed