SCHEMBL7747780

SCHEMBL7747780

CS(=O)(=O)Nc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.66
PKM P14618 2/20 0.52
HCAR2 Q8TDS4 2/20 0.52
CA12 O43570 1/20 0.52
AKR1B10 O60218 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
AKR1B1 P15121 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
DPP4 P27487 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
ESR2 Q92731 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
HDAC1 Q13547 5/20 0.50

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
SCHEMBL7747783 1.00 ESR1 (0.66) ESR1PKMHCAR2CA12AKR1B10
SCHEMBL14358816 0.83 KEAP1 (0.58) ESR1CA12CA1CA2CA9
SCHEMBL14358814 0.83 KEAP1 (0.58) ESR1CA12CA1CA2CA9
SCHEMBL25199608 0.82 XDH (0.57) ESR1MAPK1PADI4
SCHEMBL25422136 0.82 XDH (0.57) ESR1MAPK1PADI4
SCHEMBL25232308 0.82 XDH (0.57) ESR1MAPK1PADI4
SCHEMBL15218448 0.80 KEAP1 (0.67) ESR1PKMCA12CA1CA2
SCHEMBL19177038 0.79 MAPK1 (0.54) ESR1PKMHCAR2CA12AKR1B10
SCHEMBL2690712 0.79 HDAC1 (0.78) ESR1PKMHDAC1HDAC4HDAC8
SCHEMBL2690711 0.79 HDAC1 (0.78) ESR1PKMHDAC1HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
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-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 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
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed