SCHEMBL6579800

SCHEMBL6579800

CCCCN(C(=O)COc1ccccc1)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 4/20 0.40
CYP1A2 P05177 3/20 0.40
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL6581436 0.91 LMNA (0.44) TSHRMAPK10HSD17B10CYP1A2CYP2D6
SCHEMBL6579134 0.91 CYP1A2 (0.41) MAPK10HSD17B10CYP1A2USP2CYP2D6
SCHEMBL6579467 0.84 SMN1; SMN2 (0.45) TSHRMAPK10CYP1A2CYP2D6ALDH1A1
SCHEMBL6579783 0.84 TSHR (0.48) TSHRMAPK10HSD17B10CYP1A2ALDH1A1
SCHEMBL6579803 0.82 ALDH1A1 (0.40) TSHRHSD17B10ALDH1A1GAAMEN1
SCHEMBL6576926 0.79 CYP1A2 (0.38) TSHRHSD17B10CYP1A2CYP2D6SCN1A
SCHEMBL7998601 0.78 TSHR (0.39) TSHRMAPK10HSD17B10CYP1A2USP2
SCHEMBL6579572 0.78 ALDH1A1 (0.43) TSHRHSD17B10CYP1A2CYP2D6SCN1A
SCHEMBL6579039 0.78 ALDH1A1 (0.43) TSHRHSD17B10CYP1A2CYP2D6SCN1A
SCHEMBL6579965 0.78 NPC1 (0.45) TSHRMAPK10CYP1A2ALDH1A1CYP2C19

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