SCHEMBL6510041

SCHEMBL6510041

CC(C)(C)OC(=O)N1CCC(C(=O)O)(N2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL3722740 0.86 USP2 (0.49) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL6531219 0.85 HPGD (0.47) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL6506874 0.84 HPGD (0.46) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL15487763 0.83 HSD17B10 (0.48) HPGDUSP2SMN1; SMN2EPHX1EPHX2
SCHEMBL6511550 0.82 HPGD (0.43) HPGDUSP2SMN1; SMN2EPHX1EPHX2
SCHEMBL15491798 0.81 HPGD (0.51) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL3327975 0.80 HPGD (0.49) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL6508625 0.79 HPGD (0.49) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL18097955 0.78 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL18432213 0.78 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1

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