SCHEMBL8904502

SCHEMBL8904502

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

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.50
RNASE1 P07998 1/20 0.48
DHFR P00374 1/20 0.43

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
SCHEMBL8904504 1.00 TK1 (0.50) TK1RNASE1DHFR
SCHEMBL8904703 0.86 TK1 (0.62) TK1
SCHEMBL8904705 0.86 TK1 (0.62) TK1
SCHEMBL8904709 0.86 TK1 (0.62) TK1
SCHEMBL10580671 0.86 TK1 (0.53) TK1RNASE1DHFR
SCHEMBL8904506 0.85 TK1 (0.47) TK1RNASE1DHFR
SCHEMBL8904501 0.85 TK1 (0.47) TK1RNASE1DHFR
SCHEMBL9780934 0.82 TK1 (0.41) TK1RNASE1
SCHEMBL9780938 0.82 TK1 (0.41) TK1RNASE1
SCHEMBL9780941 0.82 TK1 (0.41) TK1RNASE1

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