SCHEMBL7746594

SCHEMBL7746594

CCN(C(C)=O)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
HCAR2 Q8TDS4 2/20 0.49
ESR2 Q92731 2/20 0.49
CA12 O43570 1/20 0.49
AKR1B10 O60218 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
TYR P14679 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
DPP4 P27487 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
KDM4E B2RXH2 2/20 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
SCHEMBL7746591 1.00 ESR1 (0.49) ESR1HCAR2ESR2CA12AKR1B10
SCHEMBL11195647 0.84 SELP (0.46) ESR1HCAR2ESR2CA12AKR1B10
SCHEMBL7746907 0.83 CA12 (0.63) ESR1CA12CA1CA2DPP4
SCHEMBL7746909 0.83 CA12 (0.63) ESR1CA12CA1CA2DPP4
SCHEMBL4729449 0.81 ALDH1A1 (0.61) ESR1HCAR2ESR2CA12AKR1B10
SCHEMBL8313188 0.81 ALDH1A1 (0.61) ESR1HCAR2ESR2CA12AKR1B10
SCHEMBL21309411 0.81 ALDH1A1 (0.57) KDM4EPGRL3MBTL1ALDH1A1HPGD
SCHEMBL7747922 0.81 THRB (0.49) ESR1HCAR2ESR2CA12AKR1B10
SCHEMBL7747920 0.81 THRB (0.49) ESR1HCAR2ESR2CA12AKR1B10
SCHEMBL11160068 0.80 CA12 (0.55) ESR1HCAR2ESR2CA12AKR1B10

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 6 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
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
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed