SCHEMBL7977229

SCHEMBL7977229

CCOC(=O)CC(=O)N(C)c1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
HPD P32754 3/20 0.42
PPIA P62937 3/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7978798 0.88 CYP19A1 (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7975536 0.84 CYP19A1 (0.49) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7975539 0.84 CYP19A1 (0.49) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7975802 0.84 CYP19A1 (0.45) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7977237 0.81 CYP19A1 (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7978956 0.77 CYP19A1 (0.45) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL11762688 0.76 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1L3MBTL1KDM4E
SCHEMBL7979060 0.75 KDM4E (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7979057 0.75 KDM4E (0.47) CYP19A1HPDPPIAMEN1KMT2A
SCHEMBL7965562 0.75 TSPO (0.46) CYP19A1HPDPPIAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed