SCHEMBL6988917

SCHEMBL6988917

CSc1c(OC(=O)CN)cccc1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
EPHX2 P34913 2/20 0.34
ELANE P08246 2/20 0.33
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6723581 0.84 ELANE (0.44) SLC7A5ELANEADRA1AADRA1BKDM4E
SCHEMBL6984283 0.83 SLC7A5 (0.38) SLC7A5EPHX2ELANEADRA1AADRA1B
SCHEMBL6582605 0.82 SLC7A5 (0.37) SLC7A5EPHX2ELANEADRA1AADRA1B
SCHEMBL6981261 0.82 SLC7A5 (0.37) SLC7A5EPHX2ELANEADRA1AADRA1B
SCHEMBL6985192 0.81 KMT2A (0.42) SLC7A5KDM4EMEN1KMT2AMAPT
SCHEMBL6985172 0.80 AR (0.36) SLC7A5EPHX2ELANEADRA1AADRA1B
SCHEMBL6984974 0.77 SLC6A3 (0.40) SLC7A5EPHX2KDM4EKMT2A
SCHEMBL6984597 0.74 KMT2A (0.42) SLC7A5EPHX2KDM4EKMT2AMAPT
SCHEMBL6984002 0.74 SMN1; SMN2 (0.40) SLC7A5KDM4EMEN1KMT2AMAPT
SCHEMBL6981189 0.74 SLC7A5 (0.37) SLC7A5EPHX2KDM4EMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289954-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
EP-1289972-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
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed