SCHEMBL21150195

SCHEMBL21150195

C/C(=C\Cn1c(=O)c(C)cn([C@H]2CC(O)[C@@H](CO)O2)c1=O)CC/C=C(\C)CCCC(C)(C)C(C)(C)CCC/C(C)=C/CC/C(C)=C/Cn1c(=O)c(C)cn([C@H]2CC(O)[C@@H](CO)O2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
ADRA1A P35348 1/20 0.36
TK1 P04183 4/20 0.36
TK2 O00142 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB1 P08588 1/20 0.34
DNMT1 P26358 1/20 0.34

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
SCHEMBL21086948 1.00 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17037314 1.00 LMNA (0.36) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17026587 0.90 TK1 (0.39) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17026588 0.90 TK1 (0.39) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17026544 0.90 TK1 (0.40) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16964214 0.90 TK1 (0.40) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16964213 0.90 TK1 (0.40) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17026546 0.90 TK1 (0.40) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL17037310 0.83 TK1 (0.45) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL21151113 0.78 HIF1A (0.45) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900681-B1 PHARMACEUTICAL COMPOSITION COMPRISING LIPOPHILIC NUCLEOSIDES IONOVATION GMBH (DE) 2019-07-10 EP disclosed