SCHEMBL9787700

SCHEMBL9787700

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.69
CTSK P43235 7/20 0.69
CTSL P07711 2/20 0.69
CTSB P07858 1/20 0.69
CAPN1 P07384 1/20 0.67
AAK1 Q2M2I8 1/20 0.46
REN P00797 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FOLH1 Q04609 4/20 0.44

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
SCHEMBL12653371 0.88 CAPN1 (0.66) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL1237289 0.88 CAPN1 (0.66) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL22498643 0.87 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL22498641 0.87 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18941377 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL17449484 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL22507116 0.86 CTSS (0.57) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL28969921 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7302264 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL10944684 0.86 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1

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-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed