SCHEMBL4309196

SCHEMBL4309196

CCCC1=NC(CC)=C(Oc2ccc3c(c2)OCO3)CN1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
AGTR1 P30556 3/20 0.40
PLA2G2A P14555 2/20 0.35
SLC33A1 O00400 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4017109 0.93 AGTR1 (0.46) PPARGAGTR1SLC33A1
SCHEMBL4309865 0.76 AGTR1 (0.44) PPARGAGTR1PLA2G2ASLC33A1
SCHEMBL4010280 0.73 PPARG (0.52) PPARGAGTR1SLC33A1
SCHEMBL1888593 0.73 AGTR1 (0.53) PPARGAGTR1
SCHEMBL1886796 0.72 AGTR1 (0.52) PPARGAGTR1
SCHEMBL4011196 0.71 PPARG (0.48) PPARGAGTR1SLC33A1
SCHEMBL4017111 0.69 AGTR1 (0.40) PPARGAGTR1SLC33A1
SCHEMBL4016469 0.68 PPARG (0.52) PPARGAGTR1SLC33A1
SCHEMBL4016028 0.68 AGTR1 (0.52) PPARGAGTR1PLA2G2ASLC33A1
SCHEMBL4314211 0.67 AGTR1 (0.54) 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 1 patent. 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