SCHEMBL23217749

SCHEMBL23217749

CCOC(=O)Cc1cc(F)ccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2occ(C(F)(F)F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.33
CXCR2 P25025 2/20 0.32
SLC26A3 P40879 2/20 0.32
MAOB P27338 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
UCHL1 P09936 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL30010502 1.00 MRGPRX4 (0.33) MRGPRX4CXCR2SLC26A3MAOBEPHX2
SCHEMBL21438656 0.94 CXCR2 (0.32) MRGPRX4CXCR2SLC26A3MAOBEPHX2
SCHEMBL21438522 0.92 NR1H2 (0.34) MRGPRX4SLC26A3EPHX2FFAR1FFAR4
SCHEMBL21438945 0.88 MEN1 (0.32) MRGPRX4SLC26A3POLBUCHL1
SCHEMBL21439181 0.86 UCHL1 (0.38) MRGPRX4EPHX2PPARGPOLBCTDSP1
SCHEMBL31026075 0.84 MRGPRX4 (0.39) MRGPRX4SLC26A3MAOBEPHX2PPARG
SCHEMBL30009799 0.84 MRGPRX4 (0.39) MRGPRX4SLC26A3MAOBEPHX2PPARG
SCHEMBL21438098 0.84 MRGPRX4 (0.39) MRGPRX4SLC26A3MAOBEPHX2PPARG
SCHEMBL25883833 0.84 FFAR1 (0.33) MRGPRX4CXCR2MAOBPOLBDUSP3
SCHEMBL21438494 0.83 CFD (0.38) MRGPRX4CXCR2MAOBUCHL1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555570-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-27 CN disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed