SCHEMBL6513261

SCHEMBL6513261

CC(C)C(O)C1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL6175036 0.81 EPHX1 (0.44) EPHX1HPGDTSHRALOX15USP2
SCHEMBL3254458 0.78 EPHX1 (0.54) EPHX1HPGDUSP2SMN1; SMN2MAPT
SCHEMBL6506597 0.78 EPHX1 (0.51) EPHX1HPGDTSHRALOX15USP2
SCHEMBL20558282 0.77 HPGD (0.48) EPHX1HPGDUSP2SMN1; SMN2MAPT
SCHEMBL6507267 0.77 EPHX1 (0.52) EPHX1HPGDUSP2SMN1; SMN2MAPT
SCHEMBL16553841 0.77 EPHX1 (0.41) EPHX1HPGDTSHRALOX15USP2
SCHEMBL23439145 0.76 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2MAPT
SCHEMBL6509238 0.76 EPHX1 (0.46) EPHX1HPGDTSHRALOX15USP2
SCHEMBL6132692 0.76 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2MAPT
SCHEMBL4609802 0.76 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2MAPT

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
WO-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed