SCHEMBL7399341

SCHEMBL7399341

CC(CCC(=O)O)Cc1cccc(-c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.50
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 7/20 0.45
MAPK1 P28482 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
OGA O60502 1/20 0.42

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
SCHEMBL7392893 0.95 CTSL (0.55) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL7398927 0.82 CTSK (0.63) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL7401645 0.82 CTSL (0.60) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL7446518 0.78 CTSL (0.64) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL4717631 0.76 CTSK (0.72) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL7400003 0.74 CYSLTR2 (0.52)
SCHEMBL7436831 0.73 CTSL (0.64) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL14183837 0.73 SMN1; SMN2 (0.72) RAB9ANPC1KDM4ELMNAMAPK1
SCHEMBL1474220 0.73 SMN1; SMN2 (0.58) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL4715695 0.72 CTSL (0.78) CTSLCTSBCTSSCTSKRAB9A

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-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO claimed