SCHEMBL7220707

SCHEMBL7220707

CN(C(=O)c1cc(=O)c2c(O)cccc2o1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
AR P10275 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
ABCC1 P33527 1/20 0.42
ALOX5 P09917 1/20 0.41
ACHE P22303 1/20 0.41
ATM Q13315 1/20 0.41
ABCB1 P08183 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CCNC P24863 1/20 0.40

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
Hydrochloric Acid SCHEMBL7221509 0.99 HIF1A (0.54) HIF1AEPAS1HSP90AA1HSP90AB1HSD17B10
Hydrochloric Acid SCHEMBL7221783 0.85 HIF1A (0.56) HIF1AEPAS1HSP90AA1HSP90AB1HSD17B10
SCHEMBL7221113 0.80 NPC1 (0.69) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL487161 0.73 HIF1A (0.55) HIF1AEPAS1HSP90AA1HSP90AB1
SCHEMBL487458 0.73 HSP90AA1 (0.56) HIF1AEPAS1HSP90AA1HSP90AB1
SCHEMBL7221925 0.71 NPC1 (0.62) HIF1AEPAS1HSD17B10NPC1RAB9A
SCHEMBL7222661 0.71 POLH (0.62) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL7227797 0.69 POLH (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL28762700 0.68 CCNC (0.80) HIF1AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL7221843 0.68 NPC1 (0.63) HIF1AEPAS1HSD17B10NPC1RAB9A

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
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed