SCHEMBL8564393

SCHEMBL8564393

CON(C(C)=O)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.56
ATM Q13315 1/20 0.56
PKM P14618 3/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA3 P07451 3/20 0.49
CA4 P22748 3/20 0.49
CA6 P23280 3/20 0.49
CA5A P35218 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CA5B Q9Y2D0 3/20 0.49
HCAR2 Q8TDS4 2/20 0.49
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
DPP4 P27487 2/20 0.49
ESR1 P03372 1/20 0.49
TYR P14679 1/20 0.49

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
SCHEMBL7747232 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2282490 0.80 CYP2A6 (0.48) TYRKDM4EALDH1A1HPGDKMT2A
SCHEMBL11160068 0.80 CA12 (0.55) THRBATMPKMCA12CA1
SCHEMBL7489545 0.78 HCAR2 (0.53) THRBATMPKMCA12CA1
SCHEMBL1124069 0.75 HSD17B3 (0.75) THRBATMPKMCA12CA1
SCHEMBL381477 0.75 HSD17B3 (0.75) THRBATMPKMCA12CA1
SCHEMBL7742836 0.75 HCAR2 (0.46) THRBATMPKMCA12CA1
SCHEMBL7747920 0.75 THRB (0.49) THRBATMPKMCA12CA1
SCHEMBL7747922 0.75 THRB (0.49) THRBATMPKMCA12CA1
SCHEMBL7746591 0.74 ESR1 (0.49) THRBATMPKMCA12CA1

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