SCHEMBL8556878

SCHEMBL8556878

CON=C(C(=O)Oc1ccc(OCc2nc(-c3ccccc3)cs2)cc1)c1ccc(OCc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.50
PPARA Q07869 2/20 0.50
ALOX5 P09917 3/20 0.49
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 1/20 0.39
APP P05067 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
SCHEMBL8557214 0.89 ADORA3 (0.47) PPARDPPARAALOX5MAPTL3MBTL1
SCHEMBL8555940 0.84 ADORA3 (0.41) PPARDALOX5MAPTTDP1RAB9A
SCHEMBL8557149 0.82 KMT2A (0.38) MAPTL3MBTL1RAB9AADORA3POLB
SCHEMBL8626716 0.80 NPC1 (0.54) ALOX5MAPTL3MBTL1TDP1RAB9A
SCHEMBL8622650 0.79 NPC1 (0.53) ALOX5MAPTL3MBTL1TDP1RAB9A
SCHEMBL8559076 0.76 KMT2A (0.40) ALOX5MAPTTDP1RAB9APOLB
SCHEMBL8559814 0.75 PARP10 (0.45) ADORA3MEN1NPC1
SCHEMBL8554714 0.74 PARP10 (0.57) MAPTPOLBKDM4EMEN1
SCHEMBL8557020 0.74 GPBAR1 (0.46) ALOX5MAPTRAB9ANPC1
SCHEMBL8554930 0.73 GPBAR1 (0.62) ALOX5

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed