SCHEMBL29423916

SCHEMBL29423916

CCOC(=O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCS(C)(=O)=O)c(C(F)(F)F)c5)ccc4F)ccc3[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.42
CD274 Q9NZQ7 1/20 0.33
SCN9A Q15858 1/20 0.33
PPARG P37231 1/20 0.32
GNA15 P30679 1/20 0.32
SLC10A1 Q14973 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 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
SCHEMBL18940288 0.92 FFAR1 (0.47) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL23952803 0.92 FFAR1 (0.47) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL29423930 0.92 FFAR1 (0.47) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL16845898 0.92 FFAR1 (0.47) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL29423955 0.88 FFAR1 (0.45) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL18959460 0.87 FFAR1 (0.35) FFAR1CD274SCN9A
SCHEMBL15474005 0.84 FFAR1 (0.52) FFAR1
SCHEMBL18959404 0.84 FFAR1 (0.52) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL15474002 0.82 FFAR1 (0.56) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL29423913 0.81 FFAR1 (0.43) FFAR1SCN9APPARG

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