SCHEMBL23218337

SCHEMBL23218337

COc1ccc(CC(=O)O)c(OCc2coc3ccc(-c4ccnc(CN[S+]([O-])C(C)(C)C)c4)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
THRB P10828 1/20 0.36
MTNR1A P48039 6/20 0.36
NQO2 P16083 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL23219225 0.91 POLB (0.38) POLBMAPTTSHRMAPK1THRB
SCHEMBL23218605 0.85 CFD (0.41) POLBMAPTTSHRMAPK1THRB
SCHEMBL29592560 0.85 CFD (0.41) POLBMAPTTSHRMAPK1THRB
SCHEMBL23218929 0.81 MAPT (0.36) POLBMAPTTSHRMAPK1THRB
SCHEMBL23219218 0.80 POLB (0.36) POLBMAPTTSHRMAPK1THRB
SCHEMBL29095099 0.79 CFD (0.36) TSHRCYP1A2CYP3A4CYP2C19PPARD
SCHEMBL21439438 0.79 CFD (0.36) TSHRCYP1A2CYP3A4CYP2C19PPARD
SCHEMBL29852907 0.78 S1PR1 (0.32) POLB
SCHEMBL23218683 0.78 S1PR1 (0.32) POLB
SCHEMBL21545122 0.76 CFD (0.39) TSHRMAPK1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed