SCHEMBL23217814

SCHEMBL23217814

CCOC(=O)Cc1ccccc1OC(CC(=O)O)c1cc(Br)c2occc2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 9/20 0.36
FFAR1 O14842 1/20 0.35
TBXAS1 P24557 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP1 P29466 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 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
SCHEMBL23217676 0.90 L3MBTL1 (0.35) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL30010562 0.89 TBXAS1 (0.33) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL30010940 0.87 TBXAS1 (0.38) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL23217611 0.87 TBXAS1 (0.38) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL23217708 0.86 HPGD (0.40) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL29672991 0.86 HPGD (0.40) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL23217579 0.84 CFD (0.51) CFD
Hexane SCHEMBL23217870 0.83 HPGD (0.38) CFDTBXAS1KDM4EALDH1A1MAPT
SCHEMBL23217589 0.79 CFD (0.46) CFD
SCHEMBL21438395 0.77 CFD (0.52) CFDTBXAS1PKMPRMT5

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