SCHEMBL76522

SCHEMBL76522

CC(=O)NC(C(=O)c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.44
S1PR3 Q99500 2/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL76895 0.94 LMNA (0.50) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL77141 0.90 TDP1 (0.52) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6707539 0.79 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28457962 0.79 TDP1 (0.55) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13052942 0.79 TDP1 (0.55) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31258304 0.77 MAPT (0.51) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9356311 0.76 SRC (0.52) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14409534 0.76 LMNA (0.72) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16781997 0.75 L3MBTL1 (0.73) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1669184 0.75 CES2 (0.55) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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
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
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