SCHEMBL7014786

SCHEMBL7014786

CC(=O)Nc1ccc(/C=C/C(=O)O)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.63
AKR1C2 P52895 4/20 0.63
ITGB3 P05106 2/20 0.55
ITGAV P06756 2/20 0.55
ITGA2B P08514 2/20 0.55
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MMP1 P03956 3/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA3 P07451 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
CA5A P35218 3/20 0.47
CA7 P43166 3/20 0.47

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
SCHEMBL7014790 1.00 AKR1C3 (0.63) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL6329912 0.88 AKR1C3 (0.59) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL7213473 0.88 AKR1C3 (0.59) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL20472072 0.83 AKR1C3 (0.61) AKR1C3AKR1C2KDM4EHSD17B10ALDH1A1
SCHEMBL10430612 0.83 AKR1C3 (0.61) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL10430548 0.83 AKR1C3 (0.61) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL13604782 0.81 KDM4E (0.60) AKR1C3AKR1C2KDM4EHSD17B10ALDH1A1
SCHEMBL7669853 0.81 ALDH1A1 (0.46) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL6646569 0.81 KDM4E (0.66) AKR1C3AKR1C2ITGB3ITGAVITGA2B
SCHEMBL6646570 0.81 KDM4E (0.66) AKR1C3AKR1C2ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed