SCHEMBL6579010

SCHEMBL6579010

C=CCCCCOCC(=O)N(CC=C(C)C)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HSD17B10 Q99714 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL6579280 0.87 CYP1A2 (0.37) MAOACHRM2CHRM3HTR2CCHRNA4
SCHEMBL6579337 0.86 SMN1; SMN2 (0.43) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL6578826 0.85 CYP1A2 (0.39) MAOACHRM2CHRM3HTR2CCHRNA4
SCHEMBL6579894 0.85 ALDH1A1 (0.40) MAOACHRM2CHRM3HTR2CCHRNA4
SCHEMBL6577138 0.85 MAOA (0.36) MAOACHRM2CHRM3HTR2CCHRNA4
SCHEMBL6579381 0.84 ALDH1A1 (0.35) HSD17B10LMNAALDH1A1RAB9ANPC1
SCHEMBL6579376 0.84 ALDH1A1 (0.35) HSD17B10LMNAALDH1A1RAB9ANPC1
SCHEMBL6577077 0.83 SMN1; SMN2 (0.41) LMNAALDH1A1RAB9AMEN1NPC1
SCHEMBL6576926 0.81 CYP1A2 (0.38) MAOACHRM2CHRM3HTR2CCHRNA4
SCHEMBL6579643 0.81 CYP1A2 (0.41) MAOACHRM2CHRM3HTR2CCHRNA4

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