SCHEMBL5616072

SCHEMBL5616072

CCCCCCCCCCCCN(C(N)=O)C(O)(CC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL31310571 0.85 NPC1 (0.44) NPC1JAK2RAB9APAX8SCN5A
SCHEMBL7140261 0.85 NPC1 (0.44) NPC1JAK2RAB9APAX8SCN5A
SCHEMBL27955852 0.77 KMT2A (0.39) NPC1JAK2RAB9APAX8SCN5A
SCHEMBL235949 0.76 NPC1 (0.47) NPC1JAK2RAB9APAX8ICMT
SCHEMBL235953 0.76 NPC1 (0.47) NPC1JAK2RAB9APAX8ICMT
SCHEMBL235905 0.76 NPC1 (0.47) NPC1JAK2RAB9APAX8ICMT
SCHEMBL233200 0.76 NPC1 (0.47) NPC1JAK2RAB9APAX8ICMT
SCHEMBL235012 0.76 NPC1 (0.47) NPC1JAK2RAB9APAX8ICMT
SCHEMBL17765359 0.72 NR1H2 (0.44) SIGMAR1LMNAKMT2AMEN1CHRM2
SCHEMBL17765360 0.72 NR1H2 (0.44) SIGMAR1LMNAKMT2AMEN1CHRM2

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-2007136635-A1 ENHANCEMENT OF RADIATION THERAPY AND/OR CHEMOTHERAPY WITH ACID CERAMIDASE MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2007-11-29 WO disclosed