SCHEMBL29423947

SCHEMBL29423947

CS(=O)(=O)CCCOc1ncc(-c2ccc(F)c(COc3ccc4c(c3)C[C@H]3[C@H](C(=O)O)[C@@H]43)c2)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.46
CD274 Q9NZQ7 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
PPARD Q03181 1/20 0.33
ALKBH1 Q13686 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 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
SCHEMBL16846006 1.00 FFAR1 (0.46) FFAR1CD274FFAR4PPARDALKBH1
SCHEMBL18959443 0.91 FFAR1 (0.35) FFAR1CD274FFAR4PPARDALKBH1
SCHEMBL16855673 0.87 FFAR1 (0.51) FFAR1CD274FFAR4ALKBH1
SCHEMBL16829648 0.87 FFAR1 (0.51) FFAR1CD274FFAR4ALKBH1
SCHEMBL16846007 0.87 FFAR1 (0.51) FFAR1CD274FFAR4ALKBH1
SCHEMBL29423892 0.87 FFAR1 (0.51) FFAR1CD274FFAR4ALKBH1
SCHEMBL23952772 0.85 FFAR1 (0.56) FFAR1CD274FFAR4CYP2C8CYP2C9
SCHEMBL16845976 0.85 FFAR1 (0.56) FFAR1CD274FFAR4CYP2C8CYP2C9
SCHEMBL19670781 0.85 FFAR1 (0.56) FFAR1CD274FFAR4CYP2C8CYP2C9
SCHEMBL18963536 0.85 FFAR1 (0.56) FFAR1CD274FFAR4CYP2C8CYP2C9

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