SCHEMBL7746671

SCHEMBL7746671

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
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
ESR1 P03372 1/20 0.52
CA3 P07451 1/20 0.52
PKM P14618 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

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
SCHEMBL7746675 1.00 ALDH1A1 (0.53) ALDH1A1HCAR2CA12AKR1B10CA1
SCHEMBL8195098 0.84 HDAC1 (0.62) HCAR2CA12AKR1B10CA1CA2
SCHEMBL8195099 0.84 HDAC1 (0.62) HCAR2CA12AKR1B10CA1CA2
SCHEMBL1881515 0.82 MAPT (0.69) ALDH1A1HCAR2CA12AKR1B10CA1
SCHEMBL2134110 0.82 MAPT (0.69) ALDH1A1HCAR2CA12AKR1B10CA1
SCHEMBL31708315 0.82 CA12 (0.59) ALDH1A1HCAR2CA12AKR1B10CA1
SCHEMBL9912440 0.82 CA12 (0.59) ALDH1A1HCAR2CA12AKR1B10CA1
Methyl Alcohol SCHEMBL8740652 0.81 MAPT (0.67) HCAR2CA12AKR1B10CA1CA2
SCHEMBL9213867 0.79 PAM (0.54) ALDH1A1HDAC1HDAC8HDAC6MAPK1
SCHEMBL10155599 0.79 ALDH1A1 (0.78) ALDH1A1KDM4EKMT2ANPC1RAB9A

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