SCHEMBL8565879

SCHEMBL8565879

CCOC(=O)C=Cc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CYP3A4 P08684 1/20 0.48
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
MAOB P27338 1/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL8565875 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7749841 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7749847 0.96 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL20153691 0.82 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL846221 0.81 PTGS2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL846220 0.81 PTGS2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL8562050 0.80 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8562053 0.80 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL20153748 0.79 NPC1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL6074457 0.79 CA12 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed