SCHEMBL23217614

SCHEMBL23217614

CCOC(=O)Cc1ccccc1OCCc1cc(Br)c2occc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
CFD P00746 9/20 0.42
DHFR P00374 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PRMT5 O14744 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL30010728 0.90 CFD (0.52) TBXAS1CFDPRMT5PKM
SCHEMBL21438395 0.90 CFD (0.52) TBXAS1CFDPRMT5PKM
SCHEMBL23217590 0.87 CFD (0.54) CFDTHRATHRBPPARGPPARD
SCHEMBL23217703 0.84 CFD (0.57) TBXAS1CFDDHFR
SCHEMBL21455780 0.81 CFD (0.49) CFDPRMT5
SCHEMBL23218765 0.81 TBXAS1 (0.43) TBXAS1CFDTHRATHRBPRMT5
SCHEMBL29853099 0.81 TBXAS1 (0.43) TBXAS1CFDTHRATHRBPRMT5
SCHEMBL23217674 0.81 SMN1; SMN2 (0.39) THRBPKM
SCHEMBL21438939 0.80 CFD (0.42) CFDPRMT5
SCHEMBL21438235 0.80 CFD (0.42) CFD

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