SCHEMBL8300025

SCHEMBL8300025

CCOc1ccc(CCC[C@@H](C)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
SIGMAR1 Q99720 1/20 0.38
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
GRM2 Q14416 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPT P10636 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
SCHEMBL12739396 0.85 ACACB (0.37) ACACBSIGMAR1GLANPSR1MAPK1
SCHEMBL1609487 0.84 SMN1; SMN2 (0.39) ACACBSIGMAR1MAPK1NPC1LMNA
SCHEMBL8271362 0.84 SMN1; SMN2 (0.39) ACACBSIGMAR1MAPK1NPC1LMNA
SCHEMBL1610669 0.79 ACACB (0.35) ACACBSIGMAR1MAPK1NPC1S1PR1
SCHEMBL1828390 0.79 ALDH1A1 (0.41) ACACBSIGMAR1MAPK1NPC1HTT
SCHEMBL2252368 0.76 MEN1 (0.37) ACACBSIGMAR1MAPK1NPC1HTT
SCHEMBL8292226 0.74 MAPK1 (0.34) ACACBSIGMAR1MAPK1NPC1GRM2
SCHEMBL2247202 0.74 ALDH1A1 (0.43) ACACBSIGMAR1MAPK1LMNAHTT
SCHEMBL2247475 0.74 LMNA (0.42) ACACBMAPK1LMNAHTTMAPT
SCHEMBL1828213 0.73 MCHR1 (0.40) ACACBSIGMAR1MAPK1MAPT

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-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed