SCHEMBL6985172

SCHEMBL6985172

CC(C)(C)OC(=O)c1cccc(OC(=O)CN)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
SLC7A5 Q01650 1/20 0.36
RXRA P19793 5/20 0.35
NR1H2 P55055 5/20 0.35
NR1H3 Q13133 4/20 0.35
EPHX2 P34913 1/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ELANE P08246 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6981261 0.84 SLC7A5 (0.37) ARSLC7A5EPHX2ELANEADRA1A
SCHEMBL6723581 0.84 ELANE (0.44) SLC7A5ELANEADRA1AADRA1BKMT2A
SCHEMBL6984283 0.83 SLC7A5 (0.38) ARSLC7A5EPHX2ELANEADRA1A
SCHEMBL6582605 0.82 SLC7A5 (0.37) ARSLC7A5EPHX2ELANEADRA1A
SCHEMBL6985192 0.81 KMT2A (0.42) SLC7A5KMT2AKDM4EMEN1
SCHEMBL6988917 0.80 SLC7A5 (0.36) ARSLC7A5EPHX2ELANEADRA1A
SCHEMBL6984974 0.77 SLC6A3 (0.40) SLC7A5EPHX2KMT2AKDM4E
SCHEMBL6984002 0.76 SMN1; SMN2 (0.40) SLC7A5AAK1KMT2AKDM4EMEN1
SCHEMBL6984597 0.76 KMT2A (0.42) SLC7A5EPHX2KMT2AKDM4E
SCHEMBL6981189 0.74 SLC7A5 (0.37) SLC7A5EPHX2AAK1KMT2AKDM4E

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