SCHEMBL2473204

SCHEMBL2473204

CCC(CC=Cc1ccccc1[C@@H](C)OC[C@H]1CO1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.40
GRIK2 Q13002 6/20 0.40
GRIK3 Q13003 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
MGLL Q99685 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32

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
SCHEMBL2473203 1.00 GRIK1 (0.40) GRIK1GRIK2GRIK3TDP1MGLL
SCHEMBL2672425 0.83 PAM (0.39) TDP1MGLLMEN1KMT2ACYSLTR2
SCHEMBL2672426 0.83 PAM (0.39) TDP1MGLLMEN1KMT2ACYSLTR2
SCHEMBL2474133 0.83 MGLL (0.39) TDP1MGLLMEN1KMT2AALDH1A1
SCHEMBL2474137 0.83 MGLL (0.39) TDP1MGLLMEN1KMT2AALDH1A1
SCHEMBL2672423 0.83 PAM (0.39) TDP1MGLLMEN1KMT2ACYSLTR2
SCHEMBL2474129 0.81 CYP2C19 (0.42) TDP1MGLLALDH1A1
SCHEMBL2673179 0.81 CYSLTR2 (0.43) TDP1MGLLCYSLTR2CYSLTR1
SCHEMBL2673178 0.81 CYSLTR2 (0.43) TDP1MGLLCYSLTR2CYSLTR1
SCHEMBL2673173 0.81 CYSLTR2 (0.43) TDP1MGLLCYSLTR2CYSLTR1

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