SCHEMBL10337293

SCHEMBL10337293

CC(C)(c1ccccc1)[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.41
▸ CTSL P07711 4/20 0.41
▸ CTSB P07858 4/20 0.39
▸ POLB P06746 1/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIN1 Q13526 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
SCHEMBL9417279 0.93 CTSS (0.40) CTSSCTSLCTSBCTSKCTSH
SCHEMBL1562599 0.83 POLB (0.44) CTSSCTSLCTSBPOLBCTSK
SCHEMBL1562598 0.83 POLB (0.44) CTSSCTSLCTSBPOLBCTSK
SCHEMBL10555105 0.83 CTSL (0.56) CTSSCTSLCTSBPOLBCTSK
SCHEMBL9417280 0.77 SMN1; SMN2 (0.55) CTSSSMN1; SMN2
SCHEMBL9417277 0.77 SMN1; SMN2 (0.55) CTSSSMN1; SMN2
SCHEMBL7295361 0.77 SMN1; SMN2 (0.55) CTSSSMN1; SMN2
SCHEMBL7441871 0.76 CTSS (0.53) CTSSCTSLCTSBPOLBCTSK
SCHEMBL9417266 0.76 CTSS (0.53) CTSSCTSLCTSBPOLBCTSK
Water SCHEMBL10422512 0.74 REN (0.52) CTSSPIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 — — EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 — — EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 — — WO disclosed
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