SCHEMBL4307219

SCHEMBL4307219

O=c1[nH]c(C2CC(O)C(CO)O2)c(F)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 1/20 0.39
ADRA1A P35348 1/20 0.39
TK1 P04183 3/20 0.39
TK2 O00142 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4300142 0.83 TK1 (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2636826 0.83 LMNA (0.45) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL12988358 0.81 TK1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL10873403 0.74 UMPS (0.39) LMNASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL10873399 0.74 UMPS (0.39) LMNASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL23892079 0.72 TK1 (0.41) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL12642442 0.72 TK1 (0.41) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2641583 0.72 TK1 (0.41) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL658719 0.72 TK1 (0.41) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL14088803 0.72 LMNA (0.38) LMNASMN1; SMN2ALOX12ADRA1ATK1

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
WO-2009129094-A2 COMPOSITIONS CONTAINING ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME MALLINCKRODT INC. (US) 2009-10-22 WO disclosed