SCHEMBL17416611

SCHEMBL17416611

CCc1c(C(=O)N(NC(C)(C)C)C(=O)c2cc(F)c(F)c(F)c2F)ccc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
ALOX12 P18054 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL9104632 0.87 NPC1 (0.39) NR1H2NR1H3RIPK1MEN1KMT2A
SCHEMBL5058572 0.82 HPGD (0.40) SMN1; SMN2HPGD
SCHEMBL9236827 0.79 CTNNB1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9102042 0.79 PLK1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9101070 0.77 HPGD (0.41) NR1H2NR1H3SMN1; SMN2HPGD
SCHEMBL5062182 0.75 HPGD (0.41) NR1H2NR1H3SMN1; SMN2HPGD
SCHEMBL9102918 0.72 HPGD (0.37) SMN1; SMN2RXFP1HPGD
SCHEMBL5057398 0.71 ABCB1 (0.44)
SCHEMBL18091876 0.70 CTNNB1 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL5056861 0.70 HPGD (0.37) SMN1; SMN2RXFP1HPGD

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
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