SCHEMBL7440404

SCHEMBL7440404

Br[Mg]CCCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
SIGMAR1 Q99720 4/20 0.46
EPHX1 P07099 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM5A P29375 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4A O75164 1/20 0.32
CEL P19835 1/20 0.32

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
SCHEMBL11651890 0.98 CYP1A2 (0.52) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL8838698 0.93 CYP1A2 (0.54) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL9670510 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL2763855 0.85 CYP1A2 (0.48) CYP1A2SIGMAR1EPHX1CEL
SCHEMBL4182684 0.82
SCHEMBL8171567 0.76 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1CEL
SCHEMBL8117690 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL9190697 0.76 SIGMAR1 (0.70) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL5614191 0.76 SIGMAR1 (0.70) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL10579794 0.76 CYP1A2 (0.68) CYP1A2SIGMAR1EPHX1CEL

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-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 EP disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4652551-A PEPTIDE, HYPOTENSIVE ABBOTT LABORATORIES (US) 1987-03-24 US disclosed
EP-0172346-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed