SCHEMBL6288544

SCHEMBL6288544

CC(NC(=O)OCc1ccccc1)C(=O)c1ccc(C(=O)O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ELANE P08246 1/20 0.43
CTRB1 P17538 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 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
SCHEMBL6292349 0.89 CTSK (0.45) CTSKCTSLCTSSCTSBATM
SCHEMBL8798293 0.81 CTSK (0.54) CTSKCTSLCTSSCTSBATM
SCHEMBL26293714 0.78 CTSK (0.52) CTSKCTSLCTSSCTSBATM
SCHEMBL1644719 0.78 TP53 (0.53) CTSKCTSLCTSSCTSBATM
SCHEMBL3487855 0.78 TP53 (0.53) CTSKCTSLCTSSCTSBATM
SCHEMBL3483760 0.78 TP53 (0.53) CTSKCTSLCTSSCTSBATM
SCHEMBL7423041 0.78 KMT2A (0.58) ATMMEN1LMNAKMT2A
SCHEMBL5898129 0.77 CTSK (0.59) CTSKCTSLCTSSCTSBMEN1
SCHEMBL11982516 0.77 CTSK (0.51) CTSKCTSLCTSSCTSBATM
SCHEMBL5325045 0.77 CTSK (0.59) CTSKCTSLCTSSCTSBMEN1

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
US-6849735-B1 Methods of synthesis for 9-substituted hypoxanthine derivatives MERCK EPROVA AG (CH) 2005-02-01 US disclosed