SCHEMBL7166605

SCHEMBL7166605

O=c1[nH]c(=O)n([C@@H]2CC(O)[C@H](CO)O2)cc1C#CCCCO

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALOX12 P18054 1/20 0.58
ADRA1A P35348 1/20 0.58
TK2 O00142 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL7166600 1.00 TK1 (0.61) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL7173806 0.97 TK1 (0.60) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL7173802 0.97 TK1 (0.60) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL7168837 0.96 TK1 (0.59) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL7168840 0.96 TK1 (0.59) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL4264413 0.94 TK1 (0.64) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL4264417 0.94 TK1 (0.64) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL3931463 0.92 TK1 (0.63) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL21585108 0.92 TK1 (0.63) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL3931456 0.92 TK1 (0.63) TK1LMNASMN1; SMN2ALOX12ADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573247-B1 Prophylaxis or treatment of varicella-zoster virus or cytomegalo virus infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2003-06-03 US disclosed
EP-0980377-B1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIV CARDIFF (GB) 2002-07-31 EP disclosed
EP-0980377-A1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES University College Cardiff Consultants Limited (GB) 2000-02-23 EP disclosed
WO-1998049177-A1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-11-05 WO disclosed