SCHEMBL23217886

SCHEMBL23217886

CCOC(=O)Cc1ccccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2occ(F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
CFD P00746 5/20 0.36
ROCK1 Q13464 1/20 0.35
UCHL1 P09936 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F5 P12259 1/20 0.33
CXCR2 P25025 2/20 0.33
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL30010075 1.00 TBXAS1 (0.37) TBXAS1CFDROCK1UCHL1L3MBTL1
SCHEMBL21438522 0.89 NR1H2 (0.34) TBXAS1CFDTP53HPGDALDH1A1
SCHEMBL25883833 0.86 FFAR1 (0.33) UCHL1CXCR2KMT2AMEN1POLB
SCHEMBL21439176 0.84 TBXAS1 (0.38) TBXAS1CFDUCHL1CXCR2KMT2A
SCHEMBL21438701 0.83 CFD (0.47) TBXAS1CFDUCHL1POLBPKM
SCHEMBL30010574 0.83 CFD (0.47) TBXAS1CFDUCHL1POLBPKM
SCHEMBL30010565 0.83 CFD (0.47) TBXAS1CFDUCHL1POLBPKM
SCHEMBL23217869 0.83 CFD (0.41) TBXAS1CFDL3MBTL1KMT2ATP53
SCHEMBL21438656 0.83 CXCR2 (0.32) UCHL1CXCR2POLBMAOB
SCHEMBL23217749 0.83 MRGPRX4 (0.33) UCHL1CXCR2POLBMAOB

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
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