SCHEMBL17667809

SCHEMBL17667809

COc1cc(-c2oc3ccc(CC(=O)Nc4ccccc4)cc3c2SC)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 2/20 0.48
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
STAT3 P40763 1/20 0.45
KDR P35968 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
CSNK2A1 P68400 4/20 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
SCHEMBL17667814 0.91 CSNK2A1 (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17667816 0.89 TRPV1 (0.46) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL4002255 0.88 CSNK2A2 (0.47) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL3001735 0.87 ALDH1A1 (0.55) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL4008540 0.86 CSNK2A2 (0.48) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL3002368 0.86 CSNK2A2 (0.48) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL3001522 0.84 CSNK2A2 (0.48) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL3001985 0.84 CSNK2A2 (0.43) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL3007864 0.82 CSNK2A2 (0.47) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL17667808 0.82 TRPV1 (0.52) HPGDBCHEACHE

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
EP-2069321-B1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF MEDIFRON DBT CO LTD (KR) 2016-04-13 EP claimed