SCHEMBL30084831

SCHEMBL30084831

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(F)F

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.80
PDE4B Q07343 17/20 0.68
PDE4A P27815 4/20 0.68
PDE4C Q08493 4/20 0.68
ABCB11 O95342 1/20 0.66
CYP2B6 P20813 1/20 0.65

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
SCHEMBL7371319 1.00 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7534706 0.95 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30084836 0.95 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30084849 0.93 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2889923 0.93 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2889353 0.90 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL29824400 0.90 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7353637 0.89 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL15270505 0.89 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL2882309 0.88 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CABCB11

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-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
CN-115397411-A Pharmaceutical combination and use thereof 浙江养生堂天然药物研究所有限公司 2022-11-25 CN disclosed