SCHEMBL77928

SCHEMBL77928

CC(C)(C)C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MITF O75030 2/20 0.56
POLB P06746 1/20 0.56
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
GAA P10253 2/20 0.49
TRPA1 O75762 2/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL16234831 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL76893 0.82 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL76588 0.82 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL16235129 0.81 CCR1 (0.58) NPC1RAB9ASMN1; SMN2POLBCES2
SCHEMBL16234833 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL28043395 0.75 CES1 (0.66) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL10763104 0.75 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL10768107 0.75 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL10763115 0.75 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL7897280 0.75 CA2 (0.65) RAB9ASMN1; SMN2POLBCA2ALDH1A1

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
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed