SCHEMBL6579558

SCHEMBL6579558

CCCCN(C(=O)COCC=C(C)CCC=C(C)C)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6579551 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTHRBPOLBTRPV1
SCHEMBL7975956 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBTRPV1
SCHEMBL7975957 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBTRPV1
SCHEMBL6579387 0.86 TRPV1 (0.39) TRPV1ALDH1A1
SCHEMBL6579384 0.86 TRPV1 (0.39) TRPV1ALDH1A1
SCHEMBL6579348 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBTRPV1
SCHEMBL6579338 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBTRPV1
SCHEMBL6582316 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPTMEN1ALDH1A1TP53
SCHEMBL6582259 0.80 TRPV1 (0.35) TRPV1
SCHEMBL6582265 0.80 TRPV1 (0.35) TRPV1

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