SCHEMBL7749873

SCHEMBL7749873

CCOC(=O)/C=C(/CC)Nc1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL7749875 1.00 SMN1; SMN2 (0.52) SMN1; SMN2GAAL3MBTL1KMT2ANPC1
SCHEMBL333977 0.89 GAA (0.50) SMN1; SMN2GAAL3MBTL1KMT2ANPC1
SCHEMBL333976 0.89 GAA (0.50) SMN1; SMN2GAAL3MBTL1KMT2ANPC1
SCHEMBL27450461 0.80 CTSD (0.51) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL10893778 0.79 KMT2A (0.72) SMN1; SMN2GAAL3MBTL1KMT2ARAB9A
SCHEMBL9652103 0.77 ALDH1A1 (0.52) SMN1; SMN2GAAL3MBTL1KMT2ANPSR1
SCHEMBL9359450 0.77 ALDH1A1 (0.52) SMN1; SMN2GAAL3MBTL1KMT2ANPSR1
SCHEMBL30785986 0.77 GAA (0.74) SMN1; SMN2GAAL3MBTL1KMT2ANPC1
SCHEMBL9408748 0.77 GAA (0.74) SMN1; SMN2GAAL3MBTL1KMT2ANPC1
SCHEMBL9652050 0.76 RAB9A (0.57) SMN1; SMN2GAAL3MBTL1KMT2ANPC1

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