SCHEMBL14138263

SCHEMBL14138263

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)C3CC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.55
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MMP13 P45452 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 1/20 0.39
PYGL P06737 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MMP2 P08253 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL3030225 0.84 LEF1 (0.60) LEF1MMP13MAOAMAOBKDM4E
SCHEMBL13311254 0.83 LEF1 (0.59) LEF1MMP13MAOAMAOBKDM4E
SCHEMBL6617416 0.83 LEF1 (0.74) LEF1MMP13KDM4ENPC1RAB9A
SCHEMBL29830077 0.80 LEF1 (0.67) LEF1MMP13MAOAMAOBKDM4E
SCHEMBL29783677 0.80 FLT3 (0.59) LEF1PDGFRBPDGFRAFLT3
SCHEMBL20742974 0.80 FLT3 (0.59) LEF1PDGFRBPDGFRAFLT3
SCHEMBL6619949 0.79 LEF1 (0.81) LEF1MMP13KDM4ENPC1RAB9A
SCHEMBL3027522 0.79 MMP13 (0.72) LEF1HRH3MMP13MAOAKDM4E
SCHEMBL16756055 0.79 MAOB (0.58) LEF1MMP13MAOAMAOBNPC1
SCHEMBL17055701 0.78 LEF1 (0.53) LEF1MMP13MAOAMAOBNPC1

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-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 WO disclosed