SCHEMBL5014338

SCHEMBL5014338

CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)O)c(F)c2F)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
LRRK2 Q5S007 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SCN9A Q15858 1/20 0.33
MAPK1 P28482 2/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
FKBP1A P62942 1/20 0.31
GAK O14976 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
POLB P06746 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
SCHEMBL3062273 1.00 KDM4E (0.36) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2310267 0.94 ALDH1A1 (0.34) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2307642 0.94 LRRK2 (0.34) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL5014410 0.94 ALDH1A1 (0.34) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2310416 0.92 MAPK1 (0.38) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL5011019 0.92 ALDH1A1 (0.35) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2309986 0.92 ALDH1A1 (0.33) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2308649 0.91 ALDH1A1 (0.33) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2308126 0.91 ALDH1A1 (0.33) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2305806 0.91 ALDH1A1 (0.33) KDM4ELMNAALDH1A1MEN1KMT2A

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