SCHEMBL997079

SCHEMBL997079

CC(C)(C)OC(=O)N(CCc1ccccc1)[C@H]1CO1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
HSD11B1 P28845 1/20 0.39
OPRM1 P35372 2/20 0.39
PKM P14618 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
AKT1 P31749 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 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
SCHEMBL162237 1.00 L3MBTL1 (0.41) L3MBTL1HSD11B1OPRM1PKMCTSS
SCHEMBL2968353 1.00 L3MBTL1 (0.41) L3MBTL1HSD11B1OPRM1PKMCTSS
SCHEMBL6565280 0.82 HSD11B1 (0.38) L3MBTL1HSD11B1OPRM1PKMNPSR1
SCHEMBL6565283 0.82 HSD11B1 (0.38) L3MBTL1HSD11B1OPRM1PKMNPSR1
SCHEMBL3477709 0.82 KDM4E (0.41) L3MBTL1KMT2A
SCHEMBL4550640 0.81 ALDH1A1 (0.41) L3MBTL1KMT2ANPSR1
SCHEMBL495877 0.80 MEN1 (0.44) L3MBTL1OPRM1PKMKMT2A
SCHEMBL3459106 0.80 MEN1 (0.44) L3MBTL1OPRM1PKMKMT2A
SCHEMBL5142449 0.80 MEN1 (0.44) L3MBTL1OPRM1PKMKMT2A
SCHEMBL19260910 0.79 OPRM1 (0.45) L3MBTL1HSD11B1OPRM1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 WO disclosed
WO-2011005527-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2011-01-13 WO disclosed
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed