SCHEMBL2474133

SCHEMBL2474133

CC(C=Cc1ccccc1[C@@H](C)OCC1CO1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 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
SCHEMBL2474137 1.00 MGLL (0.39) MGLLTDP1ALDH1A1GLAMEN1
SCHEMBL2672634 0.85 MGLL (0.43) MGLLTDP1ALDH1A1PTGER1PTGER4
SCHEMBL2672628 0.85 MGLL (0.43) MGLLTDP1ALDH1A1PTGER1PTGER4
SCHEMBL2672639 0.85 MGLL (0.43) MGLLTDP1ALDH1A1PTGER1PTGER4
SCHEMBL2672425 0.83 PAM (0.39) MGLLTDP1MEN1KMT2A
SCHEMBL2672426 0.83 PAM (0.39) MGLLTDP1MEN1KMT2A
SCHEMBL2672423 0.83 PAM (0.39) MGLLTDP1MEN1KMT2A
SCHEMBL2473203 0.83 GRIK1 (0.40) MGLLTDP1ALDH1A1GLAMEN1
SCHEMBL2473204 0.83 GRIK1 (0.40) MGLLTDP1ALDH1A1GLAMEN1
SCHEMBL2673179 0.81 CYSLTR2 (0.43) MGLLTDP1

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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed