SCHEMBL4225152

SCHEMBL4225152

CNCC(=O)N1CC(=O)[C@@H]2C1CCN2C(=O)[C@H](CC(C)C)NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.76
CTSS P25774 3/20 0.44
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36
CTSB P07858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4227334 1.00 CTSK (0.76) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5941654 1.00 CTSK (0.76) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4227339 1.00 CTSK (0.76) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4229902 0.92 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5941881 0.92 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4037181 0.92 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4229906 0.92 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218531 0.91 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5942245 0.91 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218130 0.91 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD

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-2009135893-A1 FIRE RESISTANT, HIGH FLOW POLY(ARYL ETHER SULFONE) COMPOSITION SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2009-11-12 WO disclosed