SCHEMBL19209490

SCHEMBL19209490

COc1ccc(-c2ccc(-c3cccc(C#N)c3)c(C)c2)c(CCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.47
FFAR4 Q5NUL3 6/20 0.45
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
POLB P06746 1/20 0.44
PTGER1 P34995 2/20 0.43
PTGER2 P43116 2/20 0.43
MAPK14 Q16539 1/20 0.41

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
SCHEMBL19209453 0.94 FFAR1 (0.45) FFAR1FFAR4PTGER4PTGER3POLB
SCHEMBL19209427 0.89 PPARG (0.44) MTNR1AMTNR1BMAPK14
SCHEMBL1889009 0.86 FFAR1 (0.54) FFAR1FFAR4PTGER4PTGER3MTNR1A
SCHEMBL12660792 0.84 POLB (0.52) FFAR1FFAR4PTGER4PTGER3MTNR1A
SCHEMBL19257206 0.83 FFAR1 (0.53) FFAR1FFAR4PTGER4PTGER3MTNR1A
SCHEMBL19209418 0.83 PPARG (0.44) MTNR1AMTNR1BMAPK14
SCHEMBL1809637 0.82 SLC1A3 (0.45) FFAR1FFAR4MTNR1AMTNR1BPOLB
SCHEMBL19209414 0.82 FFAR1 (0.50) FFAR1FFAR4PTGER4PTGER3MTNR1A
SCHEMBL1891972 0.82 POLB (0.50) FFAR1FFAR4MTNR1AMTNR1BPOLB
SCHEMBL38659657 0.82 POLB (0.50) FFAR1FFAR4MTNR1AMTNR1BPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed