SCHEMBL7748046

SCHEMBL7748046

CCOC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 1/20 0.52
CYP3A4 P08684 1/20 0.51
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAOB P27338 1/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL7748042 1.00 CA12 (0.57) CA12CA1CA9CA2CA7
SCHEMBL5701010 0.86 CA12 (0.55) CA12CA1CA9CA2CA7
SCHEMBL5701011 0.86 CA12 (0.55) CA12CA1CA9CA2CA7
SCHEMBL10262541 0.85 HDAC3 (0.54) CA12CA1CA9CA2CA7
SCHEMBL13524363 0.85 RAB9A (0.48) CA12CA1CA9CA2CA7
SCHEMBL1579754 0.84 CA12 (0.69) CA12CA1CA9CA2CA7
SCHEMBL17914351 0.84 LMNA (0.61) CA12CA9CA7CA14MAPT
SCHEMBL23513537 0.83 CA12 (0.45) CA12CA1CA9CA2CA7
SCHEMBL30013586 0.83 CA12 (0.45) CA12CA1CA9CA2CA7
SCHEMBL2156573 0.83 GHSR (0.46) CA12CA1CA9CA2CA7

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 8 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
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 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
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed