SCHEMBL4009433

SCHEMBL4009433

CCCCC1=NC(C)N(Cc2cc(F)ccc2F)C=C1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
SLC33A1 O00400 5/20 0.45
AGTR1 P30556 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL4312422 0.89 PPARG (0.44) PPARGSLC33A1AGTR1LTB4R2
SCHEMBL4011392 0.88 PPARG (0.49) PPARGSLC33A1AGTR1
SCHEMBL4011114 0.84 PPARG (0.48) PPARGSLC33A1
SCHEMBL4302458 0.84 LTB4R2 (0.49) PPARGSLC33A1AGTR1LTB4R2
SCHEMBL4305731 0.84 PPARG (0.49) PPARGAGTR1
SCHEMBL4016596 0.83 SLC33A1 (0.50) PPARGSLC33A1AGTR1LTB4R2
SCHEMBL4011452 0.83 SLC33A1 (0.52) PPARGSLC33A1AGTR1LTB4R2
SCHEMBL4010279 0.82 AGTR1 (0.47) PPARGSLC33A1AGTR1LTB4R2
SCHEMBL4012948 0.81 SLC33A1 (0.51) PPARGSLC33A1
SCHEMBL4016690 0.78 PPARG (0.46) PPARGSLC33A1AGTR1

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-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