SCHEMBL22474739

SCHEMBL22474739

CS(=O)(=O)CCCOc1cc(C(F)(F)F)c(-c2ccc(F)c(COc3cc4c(cn3)C3C(C4)[C@@H]3C(=O)O)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.56
FFAR4 Q5NUL3 1/20 0.33
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
WDR5 P61964 1/20 0.31
DGAT1 O75907 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL15471480 1.00 FFAR1 (0.56) FFAR1FFAR4CYP2C8CYP2C9EDNRB
SCHEMBL16855673 0.94 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL16829648 0.94 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL16846007 0.94 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL29423892 0.94 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL15471342 0.93 FFAR1 (0.48) FFAR1WDR5CYP11B1CYP11B2
SCHEMBL15471425 0.92 FFAR1 (0.57) FFAR1FFAR4CYP2C8CYP2C9EDNRB
SCHEMBL15471423 0.92 FFAR1 (0.57) FFAR1FFAR4CYP2C8CYP2C9EDNRB
SCHEMBL16884587 0.92 FFAR1 (0.57) FFAR1FFAR4CYP2C8CYP2C9EDNRB
SCHEMBL15464467 0.90 FFAR1 (0.62) FFAR1FFAR4CYP2C8CYP2C9DGAT1

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-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed