SCHEMBL6528795

SCHEMBL6528795

CCOC(C)OC(c1noc(C23CC4CC(CC(C4)C2)C3)n1)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 3/20 0.33
TSHR P16473 3/20 0.33
KLK7 P49862 1/20 0.32
DPP4 P27487 1/20 0.31
LMNA P02545 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN3A Q9NY46 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL6528793 1.00 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL6528461 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6528464 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6528462 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530125 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530618 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530615 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530957 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530954 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL6530959 0.83 ALDH1A1 (0.37) 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