SCHEMBL12717871

SCHEMBL12717871

CCCCCC1C(O)CC[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 3/20 0.39
GBA2 Q9HCG7 2/20 0.39
GBA1 P04062 5/20 0.38
GUSB P08236 1/20 0.37
EPHX1 P07099 1/20 0.36
FUCA1 P04066 1/20 0.35
LSS P48449 2/20 0.35
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER2 P43116 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL6240807 0.98 GBA1 (0.41) GLB1GBA2GBA1GUSBEPHX1
SCHEMBL12166786 0.82 CA1 (0.43) GLB1GBA2GBA1FUCA1LSS
SCHEMBL12166921 0.82 CYP1A2 (0.34) GLB1GBA2GBA1FUCA1NOS3
SCHEMBL24822394 0.77 TBXA2R (0.35) TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL13587934 0.77
SCHEMBL12166681 0.77 CYP1A2 (0.37) GLB1GBA2GBA1FUCA1
SCHEMBL8749490 0.76 GLB1 (0.44) GLB1GBA2GBA1
SCHEMBL14138536 0.76 GAA (0.31) EPHX1
SCHEMBL14294568 0.76 MGAM (0.30) GBA1
SCHEMBL3693371 0.76 GAA (0.31) EPHX1

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
EP-2308495-A1 Method and composition for treating peripheral vascular diseases Sucampo AG (CH) 2011-04-13 EP disclosed