SCHEMBL29423955

SCHEMBL29423955

CCOC(=O)C1C2Cc3cc(OCc4cc(-c5cnc(OCCCS(C)(=O)=O)cc5C(F)(F)F)ccc4F)ccc3C21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.45
CD274 Q9NZQ7 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
GNA15 P30679 1/20 0.31
SLC10A1 Q14973 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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 0.92 FFAR1 (0.51) FFAR1CD274FFAR4
SCHEMBL16855673 0.92 FFAR1 (0.51) FFAR1CD274FFAR4
SCHEMBL16829648 0.92 FFAR1 (0.51) FFAR1CD274FFAR4
SCHEMBL29423892 0.92 FFAR1 (0.51) FFAR1CD274FFAR4
SCHEMBL15474005 0.91 FFAR1 (0.52) FFAR1CYP11B1CYP11B2FFAR4
SCHEMBL29423916 0.88 FFAR1 (0.42) FFAR1CD274GNA15SLC10A1ABCC2
SCHEMBL18959445 0.88 FFAR1 (0.39) FFAR1CD274FFAR4
SCHEMBL29423913 0.87 FFAR1 (0.43) FFAR1CYP11B1CYP11B2FFAR4
SCHEMBL15471471 0.85 FFAR1 (0.54) FFAR1FFAR4
SCHEMBL22474739 0.85 FFAR1 (0.56) FFAR1CYP11B1CYP11B2FFAR4

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