SCHEMBL2887510

SCHEMBL2887510

COc1cc(C(=O)Nc2c(F)cccc2F)ccc1OC(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.69
PDE4A P27815 2/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PKM P14618 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2885258 0.90 CYP1A2 (0.58) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2887769 0.88 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2889399 0.86 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2887441 0.83 NPC1 (0.58) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL29824340 0.83 NPC1 (0.58) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2887392 0.82 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL2889838 0.82 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL30084822 0.82 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL7354197 0.82 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CRAB9A
SCHEMBL2882309 0.81 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CNPC1

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 8 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-2021213455-A1 DRUG COMBINATION AND USE THEREOF 浙江养生堂天然药物研究所有限公司 (CN) 2021-10-28 WO disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed