SCHEMBL20754239

SCHEMBL20754239

CC(C)[C@H](NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 4/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ELANE P08246 1/20 0.47
TSHR P16473 1/20 0.46
XIAP P98170 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CMA1 P23946 2/20 0.45

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
SCHEMBL4391131 1.00 POLB (0.63) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL22127782 1.00 POLB (0.63) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL20781245 1.00 POLB (0.63) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL20781293 1.00 POLB (0.63) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL22127783 1.00 POLB (0.63) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL22127942 1.00 POLB (0.63) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL30689116 0.92 POLB (0.56) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL20781247 0.89 POLB (0.54) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL20781240 0.89 POLB (0.54) POLBKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL22127930 0.89 POLB (0.54) POLBKMT2ASMN1; SMN2HSD17B10NPC1

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-3668837-B1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPHARMA LTD (KY) 2022-07-06 EP disclosed
WO-2019033330-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XW LABORATORIES, INC. (CN) 2019-02-21 WO disclosed