SCHEMBL30009799

SCHEMBL30009799

CCOC(=O)Cc1cc(F)ccc1OCc1cc(Br)c2occ(C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.39
SLC26A3 P40879 6/20 0.36
MAOB P27338 2/20 0.34
PTGER1 P34995 2/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
POLB P06746 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

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
SCHEMBL31026075 1.00 MRGPRX4 (0.39) MRGPRX4SLC26A3MAOBPTGER1EPHX2
SCHEMBL21438098 1.00 MRGPRX4 (0.39) MRGPRX4SLC26A3MAOBPTGER1EPHX2
SCHEMBL21437548 0.93 MRGPRX4 (0.37) MRGPRX4SLC26A3MAOBEPHX2PPARG
SCHEMBL21438698 0.91 CFD (0.38) MRGPRX4SLC26A3PTGER1EPHX2
SCHEMBL25883872 0.90 MRGPRX4 (0.39) MRGPRX4SLC26A3MAOBPTGER1POLB
SCHEMBL29672992 0.88 MRGPRX4 (0.44) MRGPRX4SLC26A3PTGER1PPARGPOLB
SCHEMBL21438449 0.87 SLC26A3 (0.35) MRGPRX4SLC26A3POLB
SCHEMBL29634143 0.87 SLC26A3 (0.35) MRGPRX4SLC26A3POLB
SCHEMBL23217616 0.84 CFD (0.38) SLC26A3POLB
SCHEMBL21437971 0.84 MRGPRX4 (0.36) MRGPRX4SLC26A3EPHX2PPARGPOLB

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-4041717-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed