SCHEMBL29423892

SCHEMBL29423892

CS(=O)(=O)CCCOc1cc(C(F)(F)F)c(-c2ccc(F)c(COc3ccc4c(c3)C[C@H]3[C@H](C(=O)O)[C@@H]43)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.51
CD274 Q9NZQ7 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
EGFR P00533 1/20 0.32
ALKBH1 Q13686 1/20 0.32

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
SCHEMBL16846007 1.00 FFAR1 (0.51) FFAR1CD274FFAR4EGFRALKBH1
SCHEMBL16829648 1.00 FFAR1 (0.51) FFAR1CD274FFAR4EGFRALKBH1
SCHEMBL16855673 1.00 FFAR1 (0.51) FFAR1CD274FFAR4EGFRALKBH1
SCHEMBL15471480 0.94 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL22474739 0.94 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL29423955 0.92 FFAR1 (0.45) FFAR1CD274FFAR4
SCHEMBL23952772 0.91 FFAR1 (0.56) FFAR1CD274FFAR4
SCHEMBL18963536 0.91 FFAR1 (0.56) FFAR1CD274FFAR4
SCHEMBL16845976 0.91 FFAR1 (0.56) FFAR1CD274FFAR4
SCHEMBL19670781 0.91 FFAR1 (0.56) FFAR1CD274FFAR4

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-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed