SCHEMBL4011203

SCHEMBL4011203

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)nc(C)n1-c1ccc(OC(C)(C)C(=O)OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
PTPN1 P18031 1/20 0.35
SLC33A1 O00400 5/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
APLNR P35414 1/20 0.34

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
SCHEMBL4017376 0.90 PPARA (0.38) PPARGFFAR1AKR1B1AGTR1AGTR2
SCHEMBL4013436 0.89 SLC33A1 (0.40) SLC33A1
SCHEMBL1892252 0.89 F10 (0.38) PPARGFFAR1AKR1B1AGTR1
SCHEMBL4010015 0.88 PPARG (0.38) PPARGFFAR1AKR1B1AGTR1AGTR2
SCHEMBL1370662 0.82 SLC33A1 (0.47) SLC33A1
SCHEMBL4167260 0.81 FFAR1 (0.39) PPARGFFAR1AKR1B1AGTR1PTPN1
SCHEMBL1892360 0.80
SCHEMBL1887244 0.80 SLC33A1 (0.39) SLC33A1
SCHEMBL1890285 0.79 PPARG (0.38) PPARGFFAR1AKR1B1APLNR
SCHEMBL1892167 0.78 AGTR1 (0.40) PPARGAGTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed