SCHEMBL9101301

SCHEMBL9101301

COc1ccccc1C(=O)N(NC(C)(C)C)C(=O)c1ccc2c(c1C)CCCO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL5053811 0.83 ABCB1 (0.50) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7130710 0.81 NPC1 (0.38) MAPTNPC1RAB9ACTNNB1WNT3A
SCHEMBL9101948 0.80 NPC1 (0.38) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18091858 0.78 CTNNB1 (0.58) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9102323 0.77 NPC1 (0.38) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL9236827 0.77 CTNNB1 (0.48) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17416603 0.74 RAB9A (0.36) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18091872 0.73 ABCB1 (0.43)
SCHEMBL5057237 0.73 NPC1 (0.46) TP53MAPTNPC1RAB9ATSHR
SCHEMBL8875639 0.72 CTNNB1 (0.35) MAPTNPC1RAB9ACTNNB1WNT3A

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
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed