SCHEMBL5058962

SCHEMBL5058962

CC(=O)c1cc(F)c(N2CC(C)OC(C)C2)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 1/20 0.34
SMYD2 Q9NRG4 2/20 0.33
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
LRRK2 Q5S007 1/20 0.31
FFAR2 O15552 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
KIF11 P52732 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
SCHEMBL5055328 0.94 ALDH1A1 (0.35) RAB9AALDH1A1KMT2AMEN1GAA
SCHEMBL2307642 0.85 LRRK2 (0.34) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL5054243 0.85 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL3062273 0.83 KDM4E (0.36) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL5014338 0.83 KDM4E (0.36) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2310416 0.82 MAPK1 (0.38) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL3056971 0.82 ALDH1A1 (0.33) RAB9AALDH1A1KMT2AMEN1GAA
SCHEMBL2310267 0.82 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL5014410 0.82 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2311948 0.81 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed