SCHEMBL7750339

SCHEMBL7750339

CC(=O)N(Cc1ccccn1)c1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TRPM8 Q7Z2W7 4/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
TNKS O95271 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
RAB9A P51151 2/20 0.41

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
SCHEMBL7750345 1.00 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7747790 0.86 CA12 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7747793 0.86 CA12 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27718450 0.84 KCNA5 (0.47) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL28272598 0.80 TRPM8 (0.51) TRPM8KMT2AALDH1A1MEN1RAB9A
SCHEMBL7747928 0.79 TRPM8 (0.47) TRPM8KDM4EKMT2AALDH1A1MEN1
SCHEMBL7747932 0.79 TRPM8 (0.47) TRPM8KDM4EKMT2AALDH1A1MEN1
SCHEMBL6733763 0.79 MAPK14 (0.51) TRPM8KDM4EALDH1A1PDK1
SCHEMBL7748094 0.77 TBXAS1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7748091 0.77 TBXAS1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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-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