SCHEMBL2480693

SCHEMBL2480693

CCC(=Cc1ccc(C)cc1[C@@H](C)OC[C@H]1CO1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDE5A O76074 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SRC P12931 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2480691 1.00 MGLL (0.33) MGLLALDH1A1SMN1; SMN2PDE5ANPBWR1
SCHEMBL2476683 0.93 SRC (0.33) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL2476679 0.93 SRC (0.33) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL2478856 0.88 MGLL (0.33) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL2478852 0.88 MGLL (0.33) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL2480359 0.87 MGLL (0.38) MGLLTDP1
SCHEMBL2480356 0.87 MGLL (0.38) MGLLTDP1
SCHEMBL2477018 0.84 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2477017 0.84 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2481306 0.83 FFAR1 (0.35) MGLLALDH1A1KDM4E

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