SCHEMBL10657299

SCHEMBL10657299

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ REN P00797 3/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ CTSD P07339 1/20 0.38

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
SCHEMBL10657304 1.00 CTSS (0.48) CTSSCTSKALDH1A1CA1CA2
SCHEMBL10754918 0.85 KLK5 (0.49) CTSSCTSKREN
SCHEMBL10754932 0.85 KLK5 (0.49) CTSSCTSKREN
SCHEMBL10754923 0.85 KLK5 (0.49) CTSSCTSKREN
SCHEMBL9677655 0.82 REN (0.54) CTSSCTSKBACE1RENCTSD
SCHEMBL9677665 0.82 REN (0.54) CTSSCTSKBACE1RENCTSD
SCHEMBL10656498 0.81 CTSS (0.42) CTSSCTSKCA1CA2CA7
SCHEMBL10662386 0.81 CTSS (0.42) CTSSCTSKCA1CA2CA7
SCHEMBL7364723 0.79 CA1 (0.57) CTSSCTSKCA1CA2CA7
SCHEMBL12018725 0.79 CA1 (0.57) CTSSCTSKCA1CA2CA7

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-4757050-A Urea, amide group-containing E. R. SQUIBB SONS, INC. (US) 1988-07-12 — — US disclosed
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