SCHEMBL9542906

SCHEMBL9542906

COc1ccc([C@@H]2CC[C@H](C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)N2C(=O)[C@H]2Cc3ccccc3N2C(=O)OC2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
FFAR2 O15552 2/20 0.36

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
SCHEMBL9544923 0.93 PREP (0.37) FFAR2
SCHEMBL9544300 0.93 PREP (0.37) FFAR2
SCHEMBL9543981 0.93 PREP (0.37) FFAR2
SCHEMBL9543570 0.92 PREP (0.38) FFAR2
SCHEMBL9542964 0.92 FFAR2 (0.42) MMP9MEN1MAPTKMT2APPARG
SCHEMBL9545386 0.91 MMP9 (0.37) MMP9MEN1GAAMAPTKMT2A
SCHEMBL9542899 0.90 PREP (0.38) FFAR2
SCHEMBL9542903 0.90 PREP (0.38) FFAR2
SCHEMBL9544042 0.87 PREP (0.38) FFAR2
SCHEMBL9544048 0.87 PREP (0.38) FFAR2

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed