SCHEMBL8894072

SCHEMBL8894072

COc1ccc(COc2c(C)[nH]ccc2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
KMT2A Q03164 2/20 0.50
APP P05067 5/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGD P15428 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL6280961 0.83 POLB (0.68) POLBKMT2ANPC1RAB9AMAOB
SCHEMBL82673 0.83 POLB (1.00) POLBKMT2ANPC1SMN1; SMN2LMNA
SCHEMBL9177598 0.78 HPGD (0.46) POLBKMT2AAPPNPC1RAB9A
SCHEMBL1053740 0.75 POLB (0.54) POLBKMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL12051091 0.75 POLB (0.60) POLBKMT2ALMNAGAAALDH1A1
SCHEMBL15670842 0.75 POLB (0.41) POLBKMT2AAPPNPC1RAB9A
SCHEMBL9168285 0.75 LMNA (0.73) POLBKMT2AAPPNPC1RAB9A
Glycerin SCHEMBL6953616 0.74 POLB (0.80) POLBKMT2ANPC1SMN1; SMN2LMNA
SCHEMBL2454041 0.74 POLB (0.63) POLBKMT2ALMNAGAAMEN1
SCHEMBL92982 0.73 POLB (0.58) POLBKMT2ANPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997032858-A1 QUINOXALINE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 WO disclosed