SCHEMBL6578832

SCHEMBL6578832

CCCCOCC(=O)N(C)c1cccc(C(=O)OCC)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CDC25B P30305 3/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL6576578 0.94 TSHR (0.52) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27474981 0.92 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6577290 0.90 MAPT (0.43) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6582116 0.86 TSHR (0.50) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27474980 0.84 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6576677 0.80 CYP1A2 (0.43) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6578812 0.79 ESR1 (0.42) TSHRTDP1L3MBTL1CA12CA1
SCHEMBL7996804 0.79 CYP1A2 (0.43) TSHRTDP1L3MBTL1CYP3A4CA12
SCHEMBL6579455 0.79 MEN1 (0.41) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28620461 0.79 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP 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
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed