SCHEMBL76588

SCHEMBL76588

Cc1ccc(C(=O)NC(C(=O)c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.51
CA2 P00918 1/20 0.49
HPGD P15428 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PTGS2 P35354 1/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
CCR6 P51684 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
SCHEMBL76893 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL16235129 0.87 CCR1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL15260867 0.84 CA2 (0.66) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL77928 0.82 NPC1 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL7897280 0.80 CA2 (0.65) SMN1; SMN2LMNAALDH1A1RAB9APOLB
SCHEMBL4680240 0.80 CA2 (0.65) SMN1; SMN2LMNAALDH1A1RAB9APOLB
SCHEMBL4685570 0.80 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL7017250 0.79 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1NPC1MEN1
SCHEMBL4681864 0.78 CA2 (0.54) SMN1; SMN2LMNAALDH1A1RAB9ACA2
SCHEMBL76387 0.77 KCNK3 (0.47) SMN1; SMN2LMNAALDH1A1NPC1RAB9A

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