SCHEMBL6579338

SCHEMBL6579338

CCOCC(=O)N(C/C=C(\C)CCC=C(C)C)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 4/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 7/20 0.38
TRPV1 Q8NER1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
GLO1 Q04760 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6579348 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL6579430 0.91 MAPT (0.41) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL6579551 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL6579558 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL6576810 0.85 TRPV1 (0.38) SMN1; SMN2MAPTALDH1A1TRPV1KMT2A
SCHEMBL6576816 0.85 TRPV1 (0.38) SMN1; SMN2MAPTALDH1A1TRPV1KMT2A
SCHEMBL7975956 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL7975957 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTHRBPOLBALDH1A1
SCHEMBL6579337 0.82 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1TDP1KMT2A
SCHEMBL6578885 0.78 MAOB (0.38) MAPTALDH1A1TRPV1KDM4E

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