SCHEMBL4601014

SCHEMBL4601014

COCCOc1ccc(CCCS(=O)(=O)NCCc2ccccc2)c(OCC2CCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL4602109 0.94 GPR84 (0.43) GPR84PPARGMEN1KMT2AROS1
SCHEMBL4602137 0.89 PPARG (0.41) GPR84PPARGROS1ALKNPC1
SCHEMBL4600593 0.87 PPARG (0.43) GPR84PPARGMEN1KMT2AROS1
SCHEMBL27716275 0.86 PPARG (0.40) GPR84PPARGMEN1KMT2AROS1
SCHEMBL4602019 0.81 PPARG (0.45) PPARGMEN1KMT2A
SCHEMBL3219692 0.78 RAB9A (0.41) GPR84NPC1RAB9A
SCHEMBL27716319 0.78 PPARG (0.41) GPR84PPARGROS1ALKNPC1
SCHEMBL27716322 0.77 PPARG (0.41) PPARGMEN1KMT2AROS1ALK
SCHEMBL3202441 0.77 PPARG (0.56) PPARG
SCHEMBL3204951 0.77 FFAR1 (0.54) NPC1RAB9A

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed