SCHEMBL4602137

SCHEMBL4602137

COCCOc1ccc(CCCS(=O)(=O)NCCc2ccccn2)c(OCC2CCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
GPR84 Q9NQS5 9/20 0.40
GRM5 P41594 1/20 0.40
PKM P14618 2/20 0.36
POLB P06746 1/20 0.36
GRM4 Q14833 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
AXL P30530 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
SCHEMBL4601014 0.89 GPR84 (0.42) PPARGROS1ALKGPR84NPC1
SCHEMBL4602109 0.89 GPR84 (0.43) PPARGROS1ALKGPR84NPC1
SCHEMBL4600676 0.88 PPARG (0.44) PPARGNPC1RAB9ATDP1
SCHEMBL4600593 0.86 PPARG (0.43) PPARGROS1ALKGPR84POLB
SCHEMBL4602607 0.84 PPARG (0.43) PPARGGRM5NPC1RAB9A
SCHEMBL27737206 0.81 PPARG (0.41) PPARGROS1ALKGPR84GRM5
SCHEMBL4602971 0.81 PPARG (0.41) PPARGPOLB
SCHEMBL4602019 0.77 PPARG (0.45) PPARGTDP1
SCHEMBL4600790 0.77 PPARG (0.40) PPARGPOLB
SCHEMBL4600582 0.76 PPARG (0.60) 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 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