SCHEMBL19983011

SCHEMBL19983011

NCCCCCC(=O)COc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSH P09668 3/20 0.47
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSF Q9UBX1 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A2 P23975 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19983124 0.86 CTSK (0.48) CTSKCTSHCTSLCTSBCTSS
SCHEMBL19630778 0.81 CTSK (0.47) CTSKCTSHCTSLCTSBCTSS
SCHEMBL18668604 0.81 CES2 (0.43) CTSKCTSHMEN1KMT2A
SCHEMBL3455032 0.76 CTSH (0.40) CTSKCTSH
SCHEMBL3455028 0.76 MPO (0.44)
SCHEMBL19982963 0.76 CYP3A4 (0.49)
SCHEMBL6743196 0.72 KMT2A (0.60) ALDH1A1LMNAALOX15KMT2A
SCHEMBL19983065 0.72 CTSL (0.47) CTSKCTSLMEN1ALDH1A1PLG
SCHEMBL22307832 0.71 HPGD (0.37) CTSKCTSHLMNAKMT2A
SCHEMBL19983110 0.71 KMT2A (0.40) CTSKCTSHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO disclosed