SCHEMBL4600593

SCHEMBL4600593

COCCOc1ccc(CCCS(=O)(=O)NCCOC(C)C)c(OCC2CCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
ROS1 P08922 1/20 0.39
ALK Q9UM73 1/20 0.39
GPR84 Q9NQS5 8/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 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
SCHEMBL4602109 0.90 GPR84 (0.43) PPARGROS1ALKGPR84NPC1
SCHEMBL4634146 0.88 PPARG (0.46) PPARG
SCHEMBL4601014 0.87 GPR84 (0.42) PPARGROS1ALKGPR84NPC1
SCHEMBL4602137 0.86 PPARG (0.41) PPARGROS1ALKGPR84NPC1
SCHEMBL27737216 0.86 PPARG (0.40) PPARGROS1ALKNPC1RAB9A
SCHEMBL3219692 0.78 RAB9A (0.41) GPR84NPC1RAB9ACASP3SENP7
SCHEMBL4602019 0.78 PPARG (0.45) PPARGALDH1A1HPGDTDP1HTT
SCHEMBL27716322 0.77 PPARG (0.41) PPARGROS1ALKNPC1RAB9A
SCHEMBL3202441 0.77 PPARG (0.56) PPARGSCN9A
SCHEMBL3216035 0.76 RAB9A (0.40) GPR84NPC1RAB9ACASP3SENP7

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