SCHEMBL8165992

SCHEMBL8165992

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX12 P18054 1/20 0.55
ADRA1A P35348 1/20 0.55
TK1 P04183 3/20 0.50
TK2 O00142 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2030383 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2030380 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL13258657 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL18214117 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2611574 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL13880679 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL21585062 0.89 LMNA (0.59) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL7866081 0.87 LMNA (0.53) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL7866078 0.87 LMNA (0.53) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL6815935 0.85 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1ATK2

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
US-6031086-A HAVING DIMINISHED CHARGE BUT UNDIMINISHED ABILITY TO COMPLEX WITH NATURAL DNA AT LOW IONIC STRENGTHS; PREPARED BY REPLACING NATURAL NUCLEOTIDES WITH UNNATURAL ZWITTERIONIC NUCLEOTIDES; MEMBRANE PERMEABLE AND NUCLEASE RESISTANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-29 US disclosed
US-5596091-A DNA AND RNA FOR GENE EXPRESSION FOR DIAGNOSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-21 US disclosed