SCHEMBL27716319

SCHEMBL27716319

COCCOc1ccc(CCCOC(=O)NS(=O)(=O)NCCc2ccccc2OC)c(OCC2CCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
HPGD P15428 2/20 0.41
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPT P10636 2/20 0.37
APP P05067 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL27716275 0.92 PPARG (0.40) PPARGHPGDROS1ALKGPR84
SCHEMBL27716322 0.92 PPARG (0.41) PPARGROS1ALKNPC1RAB9A
SCHEMBL27716263 0.89 PPARG (0.45) PPARG
SCHEMBL27716405 0.89 PPARG (0.41) PPARGHPGDROS1ALKNPC1
SCHEMBL27737216 0.88 PPARG (0.40) PPARGHPGDROS1ALKNPC1
SCHEMBL27737206 0.86 PPARG (0.41) PPARGHPGDROS1ALKGPR84
SCHEMBL27716255 0.85 PPARG (0.44) PPARG
SCHEMBL27737194 0.83 P2RX3 (0.41) PPARGHPGDROS1ALKNPC1
SCHEMBL27716279 0.81 PPARG (0.44) PPARGSCN9AALDH1A1
SCHEMBL27737205 0.81 PPARG (0.43) PPARGNPC1RAB9A

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