SCHEMBL6576752

SCHEMBL6576752

CCCCOc1c(O)c2cccc(C(=O)OCC)c2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
CLEC4M Q9H2X3 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CDC25B P30305 2/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL27489938 0.88 TSHR (0.56) KDM4ELMNAALDH1A1TSHRL3MBTL1
SCHEMBL7978035 0.86 ALDH1A1 (0.40) KDM4ELMNAALDH1A1HTTTSHR
SCHEMBL7978038 0.86 ALDH1A1 (0.40) KDM4ELMNAALDH1A1HTTTSHR
SCHEMBL7964550 0.86 TP53 (0.44) KDM4ELMNAALDH1A1TSHRL3MBTL1
SCHEMBL7978047 0.85 ALDH1A1 (0.36) KDM4ELMNAALDH1A1HTTTSHR
SCHEMBL6582186 0.83 ALDH1A1 (0.47) KDM4ELMNAALDH1A1HTTTSHR
SCHEMBL7978004 0.83 KDM4E (0.44) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL7975932 0.77 ALOX5 (0.42) KDM4EALDH1A1HTTHPGDHSD17B10
SCHEMBL7974921 0.76 ALDH1A1 (0.47) KDM4ELMNAALDH1A1HTTTSHR
SCHEMBL7964612 0.76 ALDH1A1 (0.44) KDM4ELMNAALDH1A1HTTHPGD

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 6 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-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
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed