Sugi Predict

Sugi Predict / Compounds / SCHEMBL8904501

SCHEMBL8904501

SCHEMBL8904501

COC(=O)C=C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 4/20 0.47
▸ TOP2A P11388 4/20 0.44
▸ RNASE1 P07998 1/20 0.43
▸ DHFR P00374 1/20 0.41

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
SCHEMBL8904506 1.00 TK1 (0.47) TK1TOP2ARNASE1DHFR
SCHEMBL8426561 0.91 TK1 (0.48) TK1TOP2ARNASE1
SCHEMBL8426564 0.91 TK1 (0.48) TK1TOP2ARNASE1
SCHEMBL24059076 0.88 TOP2A (0.51) TK1TOP2ARNASE1DHFR
SCHEMBL12942602 0.88 TOP2A (0.51) TK1TOP2ARNASE1DHFR
SCHEMBL23270835 0.88 TOP2A (0.51) TK1TOP2ARNASE1DHFR
SCHEMBL25752267 0.85 TK1 (0.44) TK1TOP2ARNASE1DHFR
SCHEMBL8904504 0.85 TK1 (0.50) TK1RNASE1DHFR
SCHEMBL8904502 0.85 TK1 (0.50) TK1RNASE1DHFR
SCHEMBL24059078 0.84 TK1 (0.45) TK1TOP2ARNASE1

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
US-5677439-A PREVENTION GENE EXPRESSION SANOFI (FR) 1997-10-14 — — US disclosed
EP-0541722-B1 COMPOUNDS AND METHODS FOR INHIBITING GENE EXPRESSION STERLING WINTHROP INC (US) 1995-12-20 — — EP disclosed
WO-1992002534-A2 COMPOUNDS AND METHODS FOR INHIBITING GENE EXPRESSION STERLING DRUG, INC. (US) 1992-02-20 — — WO disclosed