SCHEMBL808599

SCHEMBL808599

CC(C)CC(O)(CC(C)C)[C@@H](NC(=O)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(CC(C)C)CC(C)C)CCC1)c1cccc2ccccc12.CCCCCC(O)(CCCCC)[C@@H](NC(=O)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(CCCCC)CCCCC)CCC1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SSTR4 P31391 1/20 0.35
METAP2 P50579 2/20 0.34
METAP1 P53582 2/20 0.34
EPHX2 P34913 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2787965 0.94 CNR2 (0.38) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL808803 0.93 KDM4E (0.39) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL808744 0.92 CNR2 (0.38) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL809043 0.91 KDM4E (0.39) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL808617 0.91 CNR2 (0.37) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL808705 0.91 SSTR4 (0.36) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL2785925 0.91 METAP2 (0.39) SSTR4METAP2METAP1EPHX2LMNA
SCHEMBL808741 0.91 CETP (0.38) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL809185 0.90 CNR2 (0.39) CNR2KDM4EKMT2AL3MBTL1SSTR4
SCHEMBL808579 0.89 SSTR4 (0.36) CNR2KDM4EKMT2AL3MBTL1SSTR4

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
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed