SCHEMBL7716136

SCHEMBL7716136

COc1ccccc1COC(=O)COc1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.41
IDO1 P14902 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
UBE2I P63279 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3767200 0.82 IDO1 (0.51) NPSR1MAPTIDO1ALDH1A1
SCHEMBL1444265 0.78 ALDH1A1 (0.48) NPSR1MAPTALDH1A1MAPK1HPGD
SCHEMBL2565533 0.77 KMT2A (0.40) MAPTHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6314235 0.76 LMNA (0.54) HTTIDO1L3MBTL1ALDH1A1NPC1
SCHEMBL6667630 0.76 IDO1 (0.55) MAPTHTTIDO1L3MBTL1ALDH1A1
SCHEMBL20724254 0.74 IDO1 (0.53) MAPTHTTIDO1L3MBTL1ALDH1A1
SCHEMBL8589633 0.73 IDO1 (0.51) NPSR1MAPTHTTIDO1L3MBTL1
SCHEMBL22793199 0.72 TDP1 (0.57) TDP1MAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL286684 0.72 IDO1 (0.58) NPSR1MAPTHTTIDO1L3MBTL1
SCHEMBL11317760 0.72 MTNR1A (0.53) NPSR1MAPTHTTIDO1L3MBTL1

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-6391916-B1 ANTITUMOR AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2002-05-21 US claimed