SCHEMBL9673263

SCHEMBL9673263

c1cc(SCCCCCOC2CCCCO2)ccc1SCCCCCOC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
CA2 P00918 1/20 0.31
P2RX3 P56373 1/20 0.31
TGFBR1 P36897 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL9785546 0.82 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL811405 0.82 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL22922041 0.82 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL16376197 0.82 MEN1 (0.56) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11024894 0.80 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7452792 0.79 KDM4C (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL3168977 0.79 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL22922185 0.78 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL23471141 0.77 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL30763935 0.77 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1

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
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed