SCHEMBL8319936

SCHEMBL8319936

CC=C(c1ccc(OC)c(OC)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
MAPT P10636 9/20 0.60
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
TP53 P04637 3/20 0.59
PKM P14618 1/20 0.59
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 3/20 0.56
STAT1 P42224 1/20 0.56
NQO1 P15559 1/20 0.53
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL14217138 0.91 NPC1 (0.59) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13985921 0.86 ALDH1A1 (0.58) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4818103 0.85 PDE4A (0.72) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4818093 0.85 PDE4A (0.72) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7251263 0.85 PDE4A (0.72) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7251260 0.85 PDE4A (0.72) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5072119 0.84 KMT2A (0.69) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13985925 0.84 RAB9A (0.59) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8322445 0.82 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8269855 0.80 CTNNB1 (0.68) KMT2AMAPTRAB9ANPC1SMN1; SMN2

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-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed