SCHEMBL7866078

SCHEMBL7866078

O=C(NCCOCC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX12 P18054 1/20 0.53
ADRA1A P35348 1/20 0.53
TK1 P04183 2/20 0.48
TK2 O00142 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL7866081 1.00 LMNA (0.53) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL13880679 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2030380 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL21585062 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2611574 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2030383 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL13258657 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL18214117 0.87 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL8165992 0.87 LMNA (0.55) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL24922883 0.85 LMNA (0.34) LMNASMN1; 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 5 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
EP-0842186-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1998-05-20 EP disclosed
WO-1997012896-A1 SELECTIVE BINDING COMPLEMENTARY OLIGONUCLEOTIDES EPOCH PHARMACEUTICALS, INC. (US) 1997-04-10 WO disclosed
WO-1996040711-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1996-12-19 WO disclosed
WO-1994017092-A1 BIFUNCTIONAL CROSSLINKING OLIGONUCLEOTIDES ADAPTED FOR LINKING TO A DESIRED GENE SEQUENCE OF INVADING ORGANISM OR CELL MICROPROBE CORPORATION (US) 1994-08-04 WO disclosed