SCHEMBL29824395

SCHEMBL29824395

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.77
PDE4B Q07343 19/20 0.77
PDE4A P27815 7/20 0.77
PDE4C Q08493 7/20 0.77
ABCB11 O95342 1/20 0.72

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
SCHEMBL2888064 1.00 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL9229630 0.92 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30084849 0.88 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2889923 0.88 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
Piclamilast SCHEMBL26573 0.87 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
SCHEMBL7356144 0.87 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7358997 0.87 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7335911 0.86 PDE4D (0.98) PDE4DPDE4BPDE4APDE4C
SCHEMBL71069 0.85 PDE4B (0.59) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL15085259 0.85 PDE4D (0.77) 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 3 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
WO-2022156727-A1 COMPOSITION AND METHOD FOR TREATING TUMORS 浙江养生堂天然药物研究所有限公司 2022-07-28 WO disclosed