SCHEMBL7974970

SCHEMBL7974970

CCCCCCCCOc1c(O)c2cccc(N)c2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
GSTA1 P08263 2/20 0.37
GSTP1 P09211 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL7964612 0.86 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL7978004 0.83 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL6579154 0.83 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL7975932 0.82 ALOX5 (0.42) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL7976008 0.82 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL6576756 0.81 ESR1 (0.42) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL27387414 0.81 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL6579500 0.77 TTR (0.47) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL8004161 0.77 TTR (0.47) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL7974971 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10HPGDMAPT

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 2 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