SCHEMBL1996937

SCHEMBL1996937

Cc1sc(NCc2cccc(COc3ccc(CCC(=O)O)cc3)c2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.57
FFAR4 Q5NUL3 4/20 0.57
AKR1B1 P15121 1/20 0.57

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
SCHEMBL1996932 0.93 VDR (0.49) FFAR1FFAR4AKR1B1
SCHEMBL2002627 0.93 FFAR1 (0.57) FFAR1FFAR4AKR1B1
SCHEMBL2003964 0.85 ALDH1A1 (0.49) FFAR1FFAR4
SCHEMBL2007896 0.84 ALDH1A1 (0.51) FFAR1FFAR4
SCHEMBL1746854 0.77 FFAR1 (0.56) FFAR1FFAR4AKR1B1
SCHEMBL1747107 0.74 FFAR1 (1.00) FFAR1FFAR4AKR1B1
SCHEMBL1746663 0.74 FFAR1 (0.82) FFAR1FFAR4AKR1B1
SCHEMBL2825528 0.74 FFAR1 (0.74) FFAR1FFAR4AKR1B1
SCHEMBL206635 0.74 PTGS2 (0.58)
SCHEMBL1746811 0.73 FFAR1 (0.59) FFAR1FFAR4AKR1B1

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
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed