SCHEMBL6579803

SCHEMBL6579803

CCCCCCN(C(=O)COCc1ccccc1)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
CSNK1D P48730 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6579240 0.92 CA12 (0.39) ALDH1A1TP53CYP3A4HSD17B10RAB9A
SCHEMBL6582192 0.85 SMN1; SMN2 (0.42) ALDH1A1TP53TSHRCYP3A4MAPK1
SCHEMBL6581865 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10RAB9AKDM4E
SCHEMBL6579572 0.83 ALDH1A1 (0.43) ALDH1A1TP53TSHRCYP3A4MAPK1
SCHEMBL6579039 0.83 ALDH1A1 (0.43) ALDH1A1TP53TSHRCYP3A4MAPK1
SCHEMBL6582847 0.83 KMT2A (0.43) ALDH1A1TSHRMAPK1HSD17B10RAB9A
SCHEMBL6579800 0.82 TSHR (0.44) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL27491704 0.81 PPARA (0.43) ALDH1A1TP53RAB9ANPC1JAK2
SCHEMBL6578826 0.78 CYP1A2 (0.39) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL6577093 0.78 SMN1; SMN2 (0.42) ALDH1A1TP53TDP1L3MBTL1RAB9A

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