SCHEMBL6506597

SCHEMBL6506597

CC(C)NC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL3254458 0.79 EPHX1 (0.54) EPHX1HPGDALDH1A1MAPTEPHX2
SCHEMBL6513261 0.78 EPHX1 (0.47) EPHX1HPGDALDH1A1MAPTNPC1
SCHEMBL6507267 0.78 EPHX1 (0.52) EPHX1HPGDALDH1A1MAPTEPHX2
SCHEMBL23439145 0.77 EPHX1 (0.51) EPHX1HPGDALDH1A1MAPTEPHX2
SCHEMBL6507349 0.77 EPHX1 (0.52) EPHX1HPGDALDH1A1MAPTNPC1
SCHEMBL6509238 0.77 EPHX1 (0.46) EPHX1HPGDALDH1A1MAPTNPC1
SCHEMBL6132692 0.77 EPHX1 (0.51) EPHX1HPGDALDH1A1MAPTEPHX2
SCHEMBL4609802 0.77 EPHX1 (0.51) EPHX1HPGDALDH1A1MAPTNPC1
SCHEMBL6510036 0.76 EPHX1 (0.50) EPHX1HPGDALDH1A1MAPTEPHX2
SCHEMBL23439148 0.76 EPHX1 (0.50) EPHX1HPGDALDH1A1MAPTNPC1

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