SCHEMBL7975938

SCHEMBL7975938

C=CNc1ccc2c(c1)c(O)c(OC)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.38
KDM1A O60341 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6579540 0.90 KDM4E (0.43) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7978025 0.80 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDESR1
SCHEMBL7978061 0.75 GSK3B (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6576851 0.75 TUBB4A (0.42) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL6579782 0.74 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL6579778 0.74 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL6576852 0.74 NPC1 (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL6579294 0.73 APP (0.39) KDM4EALDH1A1GAA
SCHEMBL6579290 0.73 APP (0.39) KDM4EALDH1A1GAA
SCHEMBL6579081 0.73 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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