SCHEMBL6528461

SCHEMBL6528461

CCOC(C)OC(c1noc(C2(C)CC2)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 4/20 0.34
KLK7 P49862 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
LMNA P02545 3/20 0.31
SCN5A Q14524 1/20 0.31
SCN3A Q9NY46 1/20 0.31
USP30 Q70CQ3 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6528462 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6528464 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6528795 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6528793 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530125 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530618 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530615 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530836 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6531034 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6531037 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR

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-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed