SCHEMBL6579442

SCHEMBL6579442

CCCCCCCCCCOCC(=O)N(C)c1cc([N+](=O)[O-])ccc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTT P42858 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
SCHEMBL6580983 1.00 CYP19A1 (0.44) CYP19A1POLBSMN1; SMN2ALDH1A1CACNA1F
SCHEMBL6583371 0.92 SMN1; SMN2 (0.47) CYP19A1SMN1; SMN2ALDH1A1CACNA1FCACNA1D
SCHEMBL6577010 0.92 SMN1; SMN2 (0.47) CYP19A1SMN1; SMN2ALDH1A1CACNA1FCACNA1D
SCHEMBL6582068 0.92 SMN1; SMN2 (0.47) CYP19A1SMN1; SMN2ALDH1A1CACNA1FCACNA1D
SCHEMBL6578905 0.88 ALDH1A1 (0.49) POLBSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL6578940 0.88 SMN1; SMN2 (0.49) CYP19A1SMN1; SMN2ALDH1A1CACNA1FCACNA1D
SCHEMBL6578971 0.86 POLB (0.40) CYP19A1POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6578758 0.84 CYP1A2 (0.48) POLBSMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL6579090 0.83 MAOA (0.38) SMN1; SMN2ALDH1A1
SCHEMBL6582119 0.83 SMN1; SMN2 (0.51) CYP19A1SMN1; SMN2ALDH1A1KMT2A

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-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed