SCHEMBL23617029

SCHEMBL23617029

Bc1cc(COc2cc(F)ccc2CC(=O)OCC)cc2c(C(F)(F)F)coc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
MAOB P27338 2/20 0.34
POLB P06746 2/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
SLC26A3 P40879 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL21437548 0.90 MRGPRX4 (0.37) ALDH1A1MEN1KMT2AMRGPRX4MAOB
SCHEMBL21438656 0.84 CXCR2 (0.32) MRGPRX4MAOBPOLBEPHX2PPARG
SCHEMBL21437936 0.83 CFD (0.38) MRGPRX4MAOBSLC26A3
SCHEMBL21438516 0.82 CFD (0.45) MRGPRX4MAOBSLC26A3
SCHEMBL30009799 0.82 MRGPRX4 (0.39) MRGPRX4MAOBPOLBEPHX2PPARG
SCHEMBL31026075 0.82 MRGPRX4 (0.39) MRGPRX4MAOBPOLBEPHX2PPARG
SCHEMBL21438098 0.82 MRGPRX4 (0.39) MRGPRX4MAOBPOLBEPHX2PPARG
SCHEMBL29634143 0.81 SLC26A3 (0.35) ALDH1A1MEN1KMT2AMRGPRX4POLB
SCHEMBL21438449 0.81 SLC26A3 (0.35) ALDH1A1MEN1KMT2AMRGPRX4POLB
SCHEMBL21455469 0.81 CFD (0.38) ALDH1A1MAOBL3MBTL1

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed