SCHEMBL7875550

SCHEMBL7875550

NCCOCCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.68
TK2 O00142 1/20 0.68
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALOX12 P18054 1/20 0.55
ADRA1A P35348 1/20 0.55
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

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
SCHEMBL6541915 0.90 TK1 (0.67) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL6541908 0.90 TK1 (0.67) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL532244 0.90 TK1 (0.76) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888210 0.90 TK1 (0.76) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL6733504 0.89 TK1 (0.74) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL6733500 0.89 TK1 (0.74) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8165629 0.88 TK1 (0.73) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL4205795 0.88 TK1 (0.73) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8165631 0.88 TK1 (0.73) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL31490225 0.88 TK1 (0.79) TK1TK2LMNASMN1; SMN2ALOX12

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-6312953-B1 MODIFIED OLIGONUCLEOTIDE COMPLEMENTARY TO A TARGET SEQUENCE AND HAVING AT LEAST TWO CROSSLINKING AGENTS COVALENTLY ATTATCHED; GENE EXPRESSION INHIBITION; DNA SEQUENCING; GENETIC MAPPING EPOCH PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-5849482-A Crosslinking oligonucleotides EPOCH PHARMACEUTICALS, INC. (US) 1998-12-15 US disclosed
EP-0842186-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1998-05-20 EP disclosed
WO-1996040711-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1996-12-19 WO disclosed