SCHEMBL10077375

SCHEMBL10077375

COc1ccc(-c2coc3c(C)c(N=O)ccc3c2=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
BCHE P06276 2/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ABCB1 P08183 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.46
HMGB1 P09429 1/20 0.46
PTPN1 P18031 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL12055335 0.85 MAPT (0.60) MAPTRAB9ANPC1BCHETP53
SCHEMBL330358 0.83 MAPT (0.63) MAPTRAB9ANPC1BCHETP53
SCHEMBL330103 0.81 BCHE (0.57) MAPTRAB9ANPC1BCHETP53
SCHEMBL28730377 0.80 MAPT (0.63) MAPTRAB9ANPC1BCHETP53
SCHEMBL29550916 0.80 MAPT (0.63) MAPTRAB9ANPC1BCHETP53
SCHEMBL2069803 0.78 BCHE (0.54) MAPTRAB9ANPC1BCHETP53
SCHEMBL2069772 0.77 MAPT (0.56) MAPTRAB9ANPC1BCHETP53
SCHEMBL10563073 0.77 MAPT (0.66) MAPTRAB9ANPC1BCHETP53
SCHEMBL10562259 0.76 MAPT (0.50) MAPTRAB9ANPC1BCHETP53
SCHEMBL12325691 0.74 MAPT (0.58) MAPTRAB9ANPC1BCHETP53

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
EP-2407462-A1 Substituted chroman derivatives, medicaments and use in therapy Marshall Edwards, Inc. (US) 2012-01-18 EP disclosed