SCHEMBL11298780

SCHEMBL11298780

CCC[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCC)C(=O)NOP(C)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.42
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
CACNA1H O95180 3/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 1/20 0.39
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39
REN P00797 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL11305172 0.87 CTSK (0.46) CTSKPRSS1TPSAB1CACNA1HCTSL
SCHEMBL11298776 0.86 CTSL (0.43) CTSKPRSS1TPSAB1CACNA1HCTSL
SCHEMBL11301687 0.84 CTSK (0.58) CTSKCTSLCTSSMMEECE1
SCHEMBL11304062 0.83 LGMN (0.43) PRSS1TPSAB1CACNA1HMMEECE1
SCHEMBL11299562 0.83 REN (0.44) CTSKCACNA1HCTSLCTSSMME
SCHEMBL11304064 0.83 CTSK (0.43) CTSKCACNA1HCTSLCTSSREN
SCHEMBL11301294 0.82 CTSK (0.60) CTSKCTSLCTSSMMEECE1
SCHEMBL11298243 0.81 CTSK (0.42) CTSKCACNA1HMMEECE1
SCHEMBL11303050 0.81 CTSK (0.42) CTSKPRSS1TPSAB1CACNA1HCTSL
SCHEMBL11304755 0.80 CTSK (0.42) CTSKMMEECE1

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-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed