SCHEMBL10108119

SCHEMBL10108119

CC(CC(O)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.55
ATM Q13315 1/20 0.54
CTSS P25774 3/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 1/20 0.52
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51
ACE2 Q9BYF1 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6841176 0.87 CTSK (0.67) CTSKATMCTSSCTSLCTSB
SCHEMBL27926954 0.87 CTSK (0.67) CTSKATMCTSSCTSLCTSB
SCHEMBL7422252 0.87 CTSK (0.67) CTSKATMCTSSCTSLCTSB
SCHEMBL26986114 0.84 CTSK (0.56) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL6407665 0.82 ATM (0.59) CTSKATMCTSSCTSLCTSB
SCHEMBL13572927 0.82 ATM (0.59) CTSKATMCTSSCTSLCTSB
SCHEMBL13534727 0.82 NPC1 (0.65) CTSKATMCTSSCTSLCTSB
SCHEMBL398460 0.82 ATM (0.59) CTSKATMCTSSCTSLCTSB
SCHEMBL5268187 0.82 ATM (0.59) CTSKATMCTSSCTSLCTSB
SCHEMBL1547277 0.82 ATM (0.59) CTSKATMCTSSCTSLCTSB

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
WO-2011044502-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-23 WO disclosed
WO-2011044502-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed