SCHEMBL13624945

SCHEMBL13624945

CCC[C@@H](C=O)NC(=O)CO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.47
CTSL P07711 6/20 0.35
CTSB P07858 5/20 0.35
CTSH P09668 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL8725733 0.87 CTSK (0.51) CTSKCTSLCTSBCTSH
SCHEMBL25710428 0.82 CTSK (0.46) CTSKCTSLCTSBCTSHTAS1R3
SCHEMBL27656524 0.79 FAAH (0.55) CTSK
SCHEMBL56438 0.79 CTSK (0.50) CTSKCTSLCTSBCTSHTAS1R3
SCHEMBL4786392 0.79 CTSK (0.50) CTSKCTSLCTSBCTSHTAS1R3
SCHEMBL328961 0.79 CTSK (0.50) CTSKCTSLCTSBCTSHTAS1R3
SCHEMBL27656727 0.79 MEN1 (0.46) CTSK
SCHEMBL23505641 0.78 FAAH (0.58) CTSK
SCHEMBL27656564 0.78 FAAH (0.58) CTSK
SCHEMBL23505651 0.78 FAAH (0.58) CTSK

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-2009138511-A1 LONG-ACTING Y2 AND/OR Y4 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2009-11-19 WO disclosed