SCHEMBL28176695

SCHEMBL28176695

O=C(CCc1ccc(Br)cc1OC(F)F)CCc1ccc(Br)cc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.39
▸ PDE4B Q07343 4/20 0.39
▸ PDE4C Q08493 4/20 0.39
▸ PDE4D Q08499 4/20 0.39
▸ PDPK1 O15530 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER1 P34995 3/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL29737932 0.80 PTGDR2 (0.41) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL20562760 0.80 PTGDR2 (0.41) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL20564011 0.79 PTGDR2 (0.41) PDE4AL3MBTL1PTGER1PTGDR2MEN1
SCHEMBL28176696 0.79 L3MBTL1 (0.32) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL28080077 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL20563124 0.77 L3MBTL1 (0.38) L3MBTL1PTGER1MEN1MAPTKMT2A
SCHEMBL29737960 0.77 L3MBTL1 (0.38) L3MBTL1PTGER1MEN1MAPTKMT2A
SCHEMBL30994653 0.76 SLC6A4 (0.33) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL21940078 0.76 CCR5 (0.39) L3MBTL1PTGER1
SCHEMBL20562595 0.76 L3MBTL1 (0.37) L3MBTL1PTGER1MEN1MAPTKMT2A

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-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 — — CN disclosed
CN-104302290-B Hepatitis c virus inhibitors 百时美施贵宝公司 2017-10-24 — — CN disclosed
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