SCHEMBL28626850

SCHEMBL28626850

CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
USP30 Q70CQ3 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
UCHL1 P09936 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
SCHEMBL28630310 0.91 LMNA (0.61) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL3848743 0.90 ALDH1A1 (0.58) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL28923361 0.90 POLB (0.56) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL3848741 0.90 ALDH1A1 (0.58) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL7316058 0.90 NPC1 (0.55) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL7316045 0.90 NPC1 (0.55) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL28627339 0.89 MEN1 (0.55) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL15967748 0.88 NPC1 (0.57) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL15967749 0.88 NPC1 (0.57) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL28625318 0.87 KMT2A (0.51) NPC1LMNANPSR1KMT2AMEN1

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
CN-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 CN disclosed