SCHEMBL7642202

SCHEMBL7642202

COc1cc(CCOC(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OC(=O)OCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.45
TOP2A P11388 5/20 0.42
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 1/20 0.40
TK1 P04183 3/20 0.40

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
SCHEMBL7647587 0.91 POLB (0.47) TK1
SCHEMBL8722072 0.91 POLB (0.47) TK1
SCHEMBL6892317 0.86 RNASE1 (0.54) RNASE1TOP2ATK1
SCHEMBL7644753 0.84 RNASE1 (0.45) RNASE1ABCG2ABCB1TK1
SCHEMBL7647588 0.84 P2RY6 (0.44)
SCHEMBL7759628 0.83 RNASE1 (0.53) RNASE1TK1
SCHEMBL7648735 0.82 RNASE1 (0.48) RNASE1ABCG2ABCB1TK1
SCHEMBL7644169 0.82 RNASE1 (0.48) RNASE1ABCG2ABCB1TK1
SCHEMBL7645962 0.82 RNASE1 (0.48) RNASE1ABCG2ABCB1TK1
SCHEMBL7643986 0.82 TYMS (0.48) TK1

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-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed