SCHEMBL4631990

SCHEMBL4631990

CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)OI

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.37
UCHL1 P09936 2/20 0.37
EPHX2 P34913 1/20 0.36
NR1H2 P55055 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H3 Q13133 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
SCN4A P35499 1/20 0.34
USP30 Q70CQ3 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL17358752 0.90 HSD17B10 (0.41) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL8235326 0.90 HSD17B10 (0.41) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL30289230 0.90 HSD17B10 (0.41) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL4864314 0.87 NR1H2 (0.45) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL10269872 0.87 NR1H2 (0.45) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL18084470 0.87 NR1H2 (0.45) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL16168073 0.86 NR1H2 (0.39) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL3817711 0.85 HSD17B10 (0.40) HSD17B10NPC1UCHL1EPHX2NR1H2
SCHEMBL15606327 0.84 HSD17B10 (0.47) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL10215478 0.84 NPC1 (0.41) HSD17B10NPC1UCHL1EPHX2NR1H2

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-1984323-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-10-29 EP disclosed
WO-2007087717-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-09 WO disclosed