SCHEMBL27716263

SCHEMBL27716263

COCCOc1ccc(CCCOC(=O)NS(=O)(=O)NCCc2ccccc2OC)c(OCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MTNR1A P48039 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
FPR3 P25089 1/20 0.35

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
SCHEMBL27737205 0.91 PPARG (0.43) PPARGCNR1CNR2PDE4APDE4B
SCHEMBL27716279 0.90 PPARG (0.44) PPARGCNR1CNR2PDE4APDE4B
SCHEMBL27716319 0.89 PPARG (0.41) PPARG
SCHEMBL27716255 0.88 PPARG (0.44) PPARGCNR1CNR2PDE4APDE4B
SCHEMBL28771281 0.87 PPARG (0.43) PPARGCNR1CNR2MTNR1A
SCHEMBL28771266 0.87 PPARG (0.43) PPARGCNR1CNR2MTNR1A
SCHEMBL27737138 0.85 PPARG (0.44) PPARGCNR1CNR2
SCHEMBL27737207 0.81 PPARG (0.44) PPARGCNR1CNR2PDE4APDE4B
SCHEMBL27716275 0.81 PPARG (0.40) PPARG
SCHEMBL27716322 0.80 PPARG (0.41) PPARG

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-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed