SCHEMBL9503350

SCHEMBL9503350

CCCNCCc1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
HSD17B10 Q99714 5/20 0.65
HIF1A Q16665 4/20 0.65
TSHR P16473 3/20 0.65
NFKB1 P19838 3/20 0.65
ALOX15 P16050 2/20 0.65
CYP1A2 P05177 2/20 0.65
MAPK1 P28482 2/20 0.65
THPO P40225 2/20 0.65
TP53 P04637 1/20 0.65
KDM4E B2RXH2 5/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
GMNN O75496 1/20 0.62
GFER P55789 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL11806768 0.90 DRD1 (0.71) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL30088530 0.90 DRD1 (0.71) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL28565282 0.89 DRD1 (0.67) MAPTHSD17B10HIF1ATSHRNFKB1
Bromide SCHEMBL11805167 0.88 DRD1 (0.69) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL3420775 0.88 ADRB2 (0.69) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL30674028 0.87 MAPT (0.67) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL5285529 0.87 MAPT (0.67) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL18546398 0.86 ADRB2 (0.72) MAPTHSD17B10HIF1ATSHRNFKB1
SCHEMBL29245172 0.86 ADRB2 (0.72) MAPTHSD17B10HIF1ATSHRNFKB1
Bromide SCHEMBL9444692 0.85 MAPT (0.65) MAPTHSD17B10HIF1ATSHRNFKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP claimed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP claimed
JP-2000743-A None JP disclosed
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-5093355-A Hypotensive agents, cardiovascular disorders, renal failure SYNTEX (U.S.A.) INC. (US) 1992-03-03 US disclosed
JP-H02743-A NOVEL COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM SIMES SPA 1990-01-05 JP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed