SCHEMBL4574337

SCHEMBL4574337

Cc1cc2oc3c(OC(F)F)ccc(C(=O)O)c3c2c(O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.38
PDE4B Q07343 6/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MGAM O43451 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL73654 0.88 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL72181 0.87 MGAM (0.43) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL73109 0.82 MAOB (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL73967 0.78 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL73651 0.76 PDE4A (0.41) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL5018032 0.75 PDE4B (0.46) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL4574940 0.74 NPC1 (0.36) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL73553 0.73 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL4574332 0.72 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL3868904 0.72 PDE4B (0.37) PDE4DPDE4BPDE4APDE4C

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
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed