SCHEMBL23228992

SCHEMBL23228992

CCOC(=O)Cc1ccc(OC)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 3/20 0.45
PPARG P37231 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DPP4 P27487 2/20 0.45
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43

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
SCHEMBL21455751 0.91 ALDH1A1 (0.53) ALDH1A1PPARGPOLBTDP1DPP4
SCHEMBL30482840 0.91 ALDH1A1 (0.53) ALDH1A1PPARGPOLBTDP1DPP4
SCHEMBL24200318 0.90 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1PPARGPOLB
SCHEMBL23617308 0.88 DPP4 (0.48) ALDH1A1POLBTDP1DPP4MAPT
SCHEMBL21455279 0.87 ALDH1A1 (0.44) ALDH1A1PPARGPOLBTDP1DPP4
SCHEMBL23229043 0.85 HSD17B10 (0.62) MTNR1AMTNR1BPOLBMAPTHSD17B10
SCHEMBL24200347 0.84 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1PPARGPOLB
SCHEMBL21561992 0.83 NLRP3 (0.42) ALDH1A1POLBDPP4MAPTHSD17B10
SCHEMBL12093646 0.83 PPARG (0.48) ALDH1A1PPARGMAPTHSD17B10MEN1
SCHEMBL23656671 0.82 ALDH1A1 (0.41) ALDH1A1PPARGPOLBTDP1MAPT

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed