SCHEMBL30614194

SCHEMBL30614194

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.81
PDE4B Q07343 14/20 0.66
PDE4A P27815 13/20 0.66
PDE4C Q08493 13/20 0.66
CYP2B6 P20813 1/20 0.65
GFER P55789 1/20 0.55
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2908650 1.00 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.89 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL6874729 0.87 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL717213 0.84 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7357641 0.84 PDE4D (0.83) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL13350271 0.83 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7353637 0.83 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7361933 0.82 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7425558 0.82 PDE4D (0.72) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7534706 0.82 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6

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-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