SCHEMBL760063

SCHEMBL760063

COc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.72
PTGS2 P35354 3/20 0.67
HTR1A P08908 1/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
CYP19A1 P11511 1/20 0.54
MMP1 P03956 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
PTGS1 P23219 1/20 0.52
TLR9 Q9NR96 1/20 0.52
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL9524117 0.90 KRAS (0.72) KRASPTGS2HTR1AMAOAMAOB
SCHEMBL9524111 0.90 KRAS (0.72) KRASPTGS2HTR1AMAOAMAOB
SCHEMBL14318109 0.84 KRAS (1.00) KRASPTGS2MAOAMAOBMAPT
SCHEMBL9478343 0.83 MAOB (0.73) KRASPTGS2MAOAMAOBMAPT
SCHEMBL9478353 0.83 MAOB (0.73) KRASPTGS2MAOAMAOBMAPT
SCHEMBL9523755 0.82 PTGS2 (0.69) KRASPTGS2MAOAMAOBMAPT
SCHEMBL9523759 0.82 PTGS2 (0.69) KRASPTGS2MAOAMAOBMAPT
SCHEMBL4258994 0.81 PTGS2 (1.00) KRASPTGS2MAPTALDH1A1LMNA
SCHEMBL6309969 0.81 PTGS2 (1.00) KRASPTGS2MAPTALDH1A1LMNA
SCHEMBL4258992 0.81 PTGS2 (1.00) KRASPTGS2MAPTALDH1A1LMNA

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-8138165-B2 Chromones and chromone derivatives and uses thereof JENKEN BIOSCIENCES, INC. (US) 2012-03-20 US disclosed
US-8138165-B2 Chromones and chromone derivatives and uses thereof JENKEN BIOSCIENCES, INC. (US) 2012-03-20 US disclosed