SCHEMBL6981189

SCHEMBL6981189

CC(C)(C)OC(=O)c1c(Br)cccc1OC(=O)CN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
GRM6 O15303 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6984597 0.84 KMT2A (0.42) SLC7A5GRM6EPHX2KDM4EKMT2A
SCHEMBL6984974 0.82 SLC6A3 (0.40) SLC7A5EPHX2KDM4EKMT2AALDH1A1
SCHEMBL6984281 0.81 SMN1; SMN2 (0.36) SLC7A5GRM6EPHX2KDM4EALDH1A1
SCHEMBL6723581 0.77 ELANE (0.44) SLC7A5KDM4EMEN1KMT2AALDH1A1
SCHEMBL6977356 0.77 MRGPRX1 (0.35) SLC7A5GRM6EPHX2KDM4EALDH1A1
SCHEMBL6984283 0.77 SLC7A5 (0.38) SLC7A5GRM6EPHX2KDM4EMEN1
SCHEMBL6582605 0.76 SLC7A5 (0.37) SLC7A5EPHX2KDM4EMEN1KMT2A
SCHEMBL6981261 0.76 SLC7A5 (0.37) SLC7A5EPHX2KDM4EMEN1KMT2A
SCHEMBL6985192 0.75 KMT2A (0.42) SLC7A5KDM4EMEN1KMT2AALDH1A1
SCHEMBL6986429 0.74 MCHR1 (0.39) MEN1KMT2AALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289950-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
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-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-2001096296-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
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed