SCHEMBL13870519

SCHEMBL13870519

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

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.68
CTSS P25774 3/20 0.68
CTSB P07858 2/20 0.68
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 1/20 0.62
SIRT2 Q8IXJ6 11/20 0.55
SIRT1 Q96EB6 7/20 0.55
SIRT3 Q9NTG7 6/20 0.55
CASP3 P42574 2/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CTSK P43235 1/20 0.53

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
SCHEMBL1977941 0.98 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL13610346 0.98 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL1977017 0.98 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL12555462 0.98 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7715048 0.98 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL25494046 0.98 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL2441307 0.94 CTSL (0.75) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL2442047 0.94 CTSL (0.75) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL2445913 0.94 CTSL (0.75) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL17965152 0.94 CTSL (0.75) CTSLCTSSCTSBMEN1KMT2A

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-7517566-B2 Liquid crystal composition containing at least two gelling agents showing a liquid crystal phase at room temperature, one of which is self-organizing and has an intermolecular binding group-containing unit and a saturated aliphatic hydrocarbon group; improved in whiteness and brightness KONICA MINOLTA HOLDINGS, INC. (JP) 2009-04-14 US disclosed