SCHEMBL2480356

SCHEMBL2480356

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.38
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 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
SCHEMBL2480359 1.00 MGLL (0.38) MGLLTDP1ESR1
SCHEMBL2478871 0.87 MGLL (0.40) MGLLTDP1
SCHEMBL2478873 0.87 MGLL (0.40) MGLLTDP1
SCHEMBL2480691 0.87 MGLL (0.33) MGLLTDP1
SCHEMBL2480693 0.87 MGLL (0.33) MGLLTDP1
SCHEMBL2478852 0.86 MGLL (0.33) MGLL
SCHEMBL2478856 0.86 MGLL (0.33) MGLL
SCHEMBL2476679 0.85 SRC (0.33) TDP1
SCHEMBL2476683 0.85 SRC (0.33) TDP1
SCHEMBL2473954 0.85 ALDH1A1 (0.33) MGLLTDP1ESR1

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