SCHEMBL6860993

SCHEMBL6860993

CCCc1ccc(OC(=O)CCC(=O)OC(C)(C)O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
LTA4H P09960 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LDHA P00338 1/20 0.42
TOP2A P11388 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL2817244 0.85 ALOX15 (0.62) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6860229 0.83 PTGS1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL2815127 0.83 ALOX15 (0.59) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2815756 0.82 ALOX15 (0.65) ALOX15LTA4HTOP2A
SCHEMBL31303707 0.81 ALOX15 (0.59) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2817780 0.81 ALOX15 (0.59) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2815973 0.81 ALOX15 (0.64) ALOX15LTA4HTOP2A
SCHEMBL2817894 0.81 ALOX15 (0.64) ALOX15LTA4HTOP2A
SCHEMBL2817144 0.81 ALOX15 (0.64) ALOX15LTA4HTOP2A
SCHEMBL2815571 0.81 ALOX15 (0.64) ALOX15LTA4HTOP2A

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-2011089576-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTTICS SA (CH) 2011-07-28 WO disclosed