SCHEMBL8880348

SCHEMBL8880348

COc1ccc(CC(=O)c2ccccc2OC)cc1C(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
CTSD P07339 1/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL169081 0.85 HPGDS (0.65) HPGDSLMNASMN1; SMN2HTTNPC1
SCHEMBL29419354 0.85 HPGDS (0.65) HPGDSLMNASMN1; SMN2HTTNPC1
SCHEMBL16787533 0.81 HPGDS (0.53) HPGDSLMNASMN1; SMN2HTTNPC1
SCHEMBL18326334 0.80 ALOX5 (0.56) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL19419913 0.79 TP53 (0.56) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL3282912 0.79 NPC1 (0.63) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL29861033 0.79 NPC1 (0.63) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL1415715 0.78 HPGDS (0.50) HPGDSSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL2097494 0.76 HPGDS (0.54) HPGDSLMNASMN1; SMN2NPC1RAB9A
SCHEMBL29586157 0.76 HPGDS (0.54) HPGDSLMNASMN1; SMN2NPC1RAB9A

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-5684015-A ANGIOTENSIN ANTAGONIST AS HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-11-04 US disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed