SCHEMBL7973950

SCHEMBL7973950

COc1ccc(OC)c(C(c2ccccc2)(c2ccccc2)[C@@]2(O)[C@H](O)[C@@H](CO)O[C@@]2(C(C)OC)n2cc(C)c(=O)[nH]c2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RNASE1 P07998 1/20 0.32
TK1 P04183 2/20 0.32
TERT O14746 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TK2 O00142 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL6443084 0.94 TOP2A (0.36) TOP2ACYP3A4CYP2C9CYP2C19RNASE1
SCHEMBL7973957 0.74 RNASE1 (0.32) RNASE1TK1TERTTK2
SCHEMBL6756343 0.73 RNASE1 (0.36) TOP2ARNASE1TK1TK2
SCHEMBL6301637 0.72 RNASE1 (0.37) RNASE1TK1TK2
SCHEMBL9755145 0.72 RNASE1 (0.38) TOP2ARNASE1TK1TK2
SCHEMBL1706305 0.72 RNASE1 (0.38) TOP2ARNASE1TK1TK2
SCHEMBL8370048 0.71 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL6474433 0.71 TOP2A (0.33) TOP2ARNASE1TK1TK2
SCHEMBL6443086 0.71 RNASE1 (0.31) RNASE1TK1
SCHEMBL7863893 0.71 RNASE1 (0.37) TOP2ARNASE1TK1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086116-A1 COMPOSITIONS AND METHODS FOR THE PULMONARY DELIVERY OF NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 2001-03-28 EP disclosed
WO-2000059549-A1 ANTISENSE OLIGONUCLEOTIDE COMPOSITIONS AND METHODS FOR THE MODULATION OF JNK PROTEINS ISIS PHARMACEUTICALS, INC. (US) 2000-10-12 WO disclosed
WO-1999060010-A1 COMPOSITIONS AND METHODS FOR THE PULMONARY DELIVERY OF NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed