SCHEMBL4454463

SCHEMBL4454463

CN([CH]CC=O)CC(C)(C)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSS P25774 3/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNA5 P22460 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SYK P43405 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2188090 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL9766243 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL16207904 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL2874248 0.77 MEN1 (0.49) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL8282485 0.76 MEN1 (0.58) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL567578 0.76 MEN1 (0.56) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL848606 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL2188218 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL19797963 0.75 MEN1 (0.52) SMN1; SMN2MEN1KMT2ACTSSLMNA
SCHEMBL12852770 0.75 MEN1 (0.52) SMN1; SMN2MEN1KMT2ACTSSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed