SCHEMBL6576756

SCHEMBL6576756

CCCCCCCCOc1c(O)c2cccc([N+](=O)[O-])c2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL7999095 0.83 ALDH1A1 (0.42) ESR1ALDH1A1GAAMAPTLMNA
SCHEMBL7964612 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7974970 0.81 KDM4E (0.43) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7978004 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10CNR1
SCHEMBL6579154 0.80 KDM4E (0.42) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7975932 0.78 ALOX5 (0.42) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL27387414 0.77 ALDH1A1 (0.63) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL7989259 0.77 CNR1 (0.48) ESR1ALDH1A1GAAMAPTKDM4E
SCHEMBL6579357 0.77 CNR1 (0.48) ESR1ALDH1A1GAAMAPTKDM4E
SCHEMBL7964620 0.77 CNR1 (0.53) ALDH1A1MAPTLMNAKDM4EHPGD

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