SCHEMBL23219088

SCHEMBL23219088

NCc1cccc(-c2ccc3occ(Cc4cccc(CC(=O)O)c4O)c3c2)c1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CFD P00746 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.34
TGFBR1 P36897 1/20 0.34
FFAR1 O14842 1/20 0.33
PPARD Q03181 2/20 0.33
THRB P10828 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL29591445 1.00 ALOX15 (0.36) ALOX15KDM4EHTR1AHTR1DHTR2C
SCHEMBL23218458 0.83 CFD (0.37) ALOX15KDM4EHTR1AHTR1DHTR2C
SCHEMBL29592306 0.83 CFD (0.37) ALOX15KDM4EHTR1AHTR1DHTR2C
SCHEMBL29592710 0.82 CFD (0.49) CD274CFDPPARD
SCHEMBL23218539 0.82 CFD (0.49) CD274CFDPPARD
SCHEMBL23218238 0.81 PPARD (0.38) ALOX15KDM4EHTR1AHTR1DHTR2C
SCHEMBL29592722 0.81 PPARD (0.38) ALOX15KDM4EHTR1AHTR1DHTR2C
SCHEMBL29592081 0.79 CFD (0.43) CD274CFDFFAR1PPARD
SCHEMBL23218864 0.79 CFD (0.43) CD274CFDFFAR1PPARD
SCHEMBL23218388 0.77 CD274 (0.43) KDM4ECD274CFDMAPTFFAR1

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-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed