SCHEMBL6579894

SCHEMBL6579894

C=CCN(C(=O)COCCCCCC)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MAOA P21397 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 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
SCHEMBL6579039 0.88 ALDH1A1 (0.43) ALDH1A1NPC1MAPTRAB9AHSD17B10
SCHEMBL6579572 0.88 ALDH1A1 (0.43) ALDH1A1NPC1MAPTRAB9AHSD17B10
SCHEMBL6582033 0.87 PPARA (0.36) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL6579280 0.87 CYP1A2 (0.37) ALDH1A1NPC1MAPTRAB9AHSD17B10
SCHEMBL6579068 0.85 HPGD (0.38) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL6582332 0.85 SMN1; SMN2 (0.43) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL6579010 0.85 MAOA (0.33) ALDH1A1NPC1MAPTRAB9AHSD17B10
SCHEMBL6578826 0.85 CYP1A2 (0.39) ALDH1A1NPC1MAPTRAB9AHSD17B10
SCHEMBL6580988 0.84 CYP1A2 (0.45) ALDH1A1NPC1MAPTRAB9AHSD17B10
SCHEMBL6576926 0.84 CYP1A2 (0.38) ALDH1A1NPC1MAPTRAB9AHSD17B10

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