SCHEMBL5487435

SCHEMBL5487435

CCC[C@H](NC(=O)c1ccccc1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.40
CTSS P25774 6/20 0.40
CTSB P07858 4/20 0.40
CTSK P43235 4/20 0.40
CCR1 P32246 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4188373 0.95 CTSS (0.39) CTSLCTSSCTSBCTSKKDM4E
SCHEMBL4175687 0.93 CNR1 (0.44) CTSLCTSSCTSKRAB9AATM
SCHEMBL4171002 0.91 CTSL (0.49) CTSLCTSSCTSBCTSKCCR1
SCHEMBL4183292 0.91 USP30 (0.39) CTSLCTSSCTSBCTSKKDM4E
SCHEMBL4188282 0.88 CTSS (0.54) CTSLCTSSCTSBCTSKATM
SCHEMBL4179274 0.88 CNR1 (0.43) CTSLCTSSCTSKRAB9AKMT2A
SCHEMBL4188234 0.88 CTSL (0.44) CTSLCTSSCTSBCTSKCCR1
SCHEMBL4188233 0.88 CTSL (0.44) CTSLCTSSCTSBCTSKCCR1
SCHEMBL4185692 0.87 CTSL (0.45) CTSLCTSSCTSBCTSKRAB9A
SCHEMBL4175983 0.87 KDM4E (0.43) KDM4ERAB9AATMHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO disclosed