SCHEMBL1746673

SCHEMBL1746673

CCC(NCc1ccc(COc2ccc(CCC(=O)OC)cc2)cc1)c1nc(C)c(C)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.42
PPARD Q03181 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
FFAR1 O14842 5/20 0.40
BCHE P06276 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL1745485 0.79 FFAR1 (0.53) VDRPPARDFFAR1BCHEFFAR4
SCHEMBL1746697 0.76 PPARD (0.44) VDRPPARDADRB2ADRB1FFAR1
SCHEMBL15679198 0.72 FFAR1 (0.60) VDRADRB2ADRB1FFAR1FFAR4
SCHEMBL1745058 0.72 FFAR1 (0.61) PPARDFFAR1FFAR4
SCHEMBL2003964 0.70 ALDH1A1 (0.49) VDRPPARDFFAR1FFAR4
SCHEMBL1587089 0.70 EPHX2 (0.60) VDRPPARDADRB2ADRB1FFAR1
SCHEMBL1745247 0.69 FFAR1 (0.72) FFAR1FFAR4
SCHEMBL1747136 0.69 FFAR1 (0.72) FFAR1FFAR4
SCHEMBL4518796 0.69 KDM4E (0.58) ADRB2ADRB1FFAR1FFAR4
SCHEMBL1745363 0.68 FFAR1 (0.58) VDRPPARDADRB2ADRB1FFAR1

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
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed