SCHEMBL28634406

SCHEMBL28634406

COC(=O)CNC(=S)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.64
PDE4D Q08499 11/20 0.64
PDE4A P27815 7/20 0.64
PDE4C Q08493 7/20 0.64
ABCB11 O95342 1/20 0.53

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 0.89 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28334312 0.89 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28333806 0.88 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL28333752 0.86 APOBEC3G (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL6461060 0.82 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29723540 0.82 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28628502 0.81 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL132715 0.80 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28310127 0.79 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL21568180 0.79 PDE4B (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707873-B Substituted oxazole derivative and application thereof in medicines 广东东阳光药业股份有限公司 2023-12-08 CN disclosed
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