SCHEMBL6983831

SCHEMBL6983831

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOCc1ccccc1)C(CCc1ccccc1)(CC(C)C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.44
CA5A P35218 1/20 0.41
CTSL P07711 4/20 0.40
CTSS P25774 2/20 0.40
CAPN1 P07384 2/20 0.40
CTSB P07858 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6986934 1.00 CTSK (0.44) CTSKCA5ACTSLCTSSCAPN1
SCHEMBL6981067 0.92 CTSK (0.46) CTSKCA5ACTSLCTSSCAPN1
SCHEMBL6986438 0.89 CTSK (0.45) CTSKCA5ACTSLCTSSCTSB
SCHEMBL6986262 0.85 CTSK (0.44) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6985021 0.82 CTSK (0.45) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6982376 0.81 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL6982649 0.77 ANPEP (0.40)
SCHEMBL7805789 0.72 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL6940820 0.72 ECE1 (0.38) CTSKCA5ACTSLCTSSCTSB
SCHEMBL28546805 0.71 CTSK (0.62) 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
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed