SCHEMBL6926181

SCHEMBL6926181

O=C(OC[C@@H]1O[C@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)CC1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TK2 O00142 6/20 0.53
RNASE1 P07998 1/20 0.52
UPP1 Q16831 1/20 0.50
TYMS P04818 1/20 0.41
POLB P06746 1/20 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
SCHEMBL6235590 1.00 TK1 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205790 0.92 RNASE1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205795 0.92 RNASE1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11061538 0.92 RNASE1 (0.59) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11204200 0.91 TK1 (0.51) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3077419 0.90 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3077417 0.90 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11200828 0.90 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11198667 0.90 RNASE1 (0.52) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11197346 0.89 CYP1A2 (0.50) TK1CYP1A2CYP3A4TSHRBLM

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-1363928-A1 PROCESS FOR THE PREPARATION OF (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE Menarini Ricerche S.p.A. (IT) 2003-11-26 EP disclosed
WO-2002068443-A1 PROCESS FOR THE PREPARATION OF (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE MENARINI RICERCHE S.P.A. (IT) 2002-09-06 WO disclosed