SCHEMBL17424946

SCHEMBL17424946

C=CCOCc1c(OC)cccc1C(=O)N=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LIG1 P18858 1/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
CTSD P07339 1/20 0.35
LMNA P02545 2/20 0.35
PARP1 P09874 1/20 0.34
STAT3 P40763 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL668137 0.85 HTT (0.44) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL10139047 0.85 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL668685 0.84 MAPT (0.45) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL10139038 0.83 CYP3A4 (0.55) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL14703579 0.79 CYP3A4 (0.38) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL667972 0.78 RAB9A (0.38) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL668599 0.78 LMNA (0.40) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL4684488 0.70 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2HTTKMT2APOLB
SCHEMBL4683233 0.69 CTSD (0.39) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL28663786 0.69 KDM4E (0.42) KDM4ESMN1; SMN2HTTMEN1KMT2A

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-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
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