Sugi Predict

Sugi Predict / Compounds / SCHEMBL6443084

SCHEMBL6443084

SCHEMBL6443084

CCOC(C)[C@@]1(n2cc(C)c(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@]1(O)C(c1ccccc1)(c1ccccc1)c1cc(OC)ccc1OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.36
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TERT O14746 1/20 0.31
▸ RNASE1 P07998 1/20 0.30
▸ TK1 P04183 2/20 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
SCHEMBL7973950 0.94 TOP2A (0.36) TOP2ACYP3A4CYP2C9CYP2C19TERT
SCHEMBL6443086 0.76 RNASE1 (0.31) RNASE1TK1
SCHEMBL7973957 0.71 RNASE1 (0.32) TERTRNASE1TK1
SCHEMBL6756343 0.71 RNASE1 (0.36) TOP2ARNASE1TK1
SCHEMBL6301637 0.70 RNASE1 (0.37) RNASE1TK1
SCHEMBL1706305 0.70 RNASE1 (0.38) TOP2ARNASE1TK1
SCHEMBL9755145 0.70 RNASE1 (0.38) TOP2ARNASE1TK1
SCHEMBL6753657 0.69 TK1 (0.38) RNASE1TK1
SCHEMBL8370048 0.69 RNASE1 (0.38) RNASE1TK1
SCHEMBL7863893 0.69 RNASE1 (0.37) TOP2ARNASE1TK1

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
EP-1567009-A2 ANTISENSE MODULATION OF NOTCH (DROSOPHILA) HOMOLOG 4 EXPRESSION Isis Pharmaceuticals, Inc. (US) 2005-08-31 — — EP disclosed
WO-2004035676-A2 ANTISENSE MODULATION OF NOTCH (DROSOPHILA) HOMOLOG 4 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2004-04-29 — — WO disclosed