SCHEMBL7977451

SCHEMBL7977451

CCC(=O)c1ccc2[nH]c(SCc3cccc(SCCOCCOCCOCCOCCOC)c3C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 4/20 0.39
RECQL P46063 3/20 0.39
AR P10275 3/20 0.38
GCGR P47871 2/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35
PTBP1 P26599 1/20 0.35

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
SCHEMBL7963868 0.91 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ALMNARECQL
SCHEMBL7964022 0.84 AR (0.41) SMN1; SMN2NPC1RAB9ALMNARECQL
SCHEMBL7974429 0.84 AR (0.42) SMN1; SMN2NPC1RAB9ALMNARECQL
SCHEMBL7974426 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAAR
SCHEMBL7974431 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAAR
SCHEMBL7974298 0.72 POLB (0.50) SMN1; SMN2NPC1RAB9ALMNARECQL
SCHEMBL7963977 0.72 LMNA (0.49) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL7963998 0.71 POLB (0.47) SMN1; SMN2NPC1RAB9ALMNARECQL
SCHEMBL7974453 0.71 NPC1 (0.50) SMN1; SMN2NPC1RAB9ALMNARECQL
SCHEMBL7964043 0.70 MAPT (0.50) SMN1; SMN2NPC1RAB9ALMNARECQL

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed