SCHEMBL14980458

SCHEMBL14980458

COC(=O)CCCC(=O)N1CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.70
TSHR P16473 2/20 0.56
ATM Q13315 1/20 0.50
EPHX1 P07099 2/20 0.48
EPHX2 P34913 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL12259096 0.89 GLA (0.54) GLATSHREPHX1EPHX2L3MBTL1
SCHEMBL19199839 0.85 GLA (0.70) GLATSHRATMEPHX1EPHX2
SCHEMBL15934094 0.84 L3MBTL1 (0.68) GLATSHRATML3MBTL1RAB9A
SCHEMBL22623111 0.83 GLA (0.67) GLATSHRATMEPHX1EPHX2
SCHEMBL17558012 0.82 GLA (0.57) GLATSHRATMEPHX1EPHX2
SCHEMBL10053018 0.82 RAB9A (0.49) GLATSHRATML3MBTL1RAB9A
SCHEMBL12282233 0.81 KMT2A (0.52) GLAATML3MBTL1RAB9ANPC1
SCHEMBL5605136 0.81 ATM (0.54) GLATSHRATML3MBTL1NPC1
SCHEMBL27388324 0.80 ATM (0.48) GLAATML3MBTL1NPC1KMT2A
SCHEMBL12282009 0.80 KDM4E (0.49) GLAATML3MBTL1RAB9ANPC1

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
WO-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 WO disclosed