SCHEMBL6986694

SCHEMBL6986694

CC(C)(C)OC(=O)c1ccc2c(OC(=O)CN)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
NCF1 P14598 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6986429 0.82 MCHR1 (0.39) GAAKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6723581 0.72 ELANE (0.44) SLC7A5KDM4EKMT2AMEN1MAPT
SCHEMBL6984283 0.72 SLC7A5 (0.38) SLC7A5KDM4EGAAKMT2AMEN1
SCHEMBL6981189 0.71 SLC7A5 (0.37) SLC7A5KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL6981261 0.71 SLC7A5 (0.37) SLC7A5KDM4EKMT2AMEN1MAPT
SCHEMBL6582605 0.71 SLC7A5 (0.37) SLC7A5KDM4EKMT2AMEN1MAPT
SCHEMBL6984597 0.71 KMT2A (0.42) SLC7A5KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL6985061 0.70 ELANE (0.46) ALOX15KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4312684 0.70 MGAM (0.56) KDM4EGAAKMT2ASMN1; SMN2MEN1
SCHEMBL6985192 0.70 KMT2A (0.42) SLC7A5KDM4EGAAKMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed