SCHEMBL7494181

SCHEMBL7494181

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.63
CTSK P43235 6/20 0.63
CTSL P07711 2/20 0.63
CTSB P07858 2/20 0.63
AKT1 P31749 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
ACE P12821 1/20 0.55
REN P00797 1/20 0.53
PTPN1 P18031 3/20 0.51
PTPRA P18433 1/20 0.51
ATM Q13315 1/20 0.50
BCL2 P10415 1/20 0.50

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
SCHEMBL13954127 0.92 CTSS (0.61) CTSSCTSKCTSLCTSBAKT1
SCHEMBL27808579 0.91 CTSS (0.60) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8665277 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBAKT1
SCHEMBL13954048 0.88 CTSS (0.67) CTSSCTSKCTSLCTSBHDAC8
SCHEMBL15598266 0.88 CTSK (0.51) CTSSCTSKCTSLCTSBHDAC8
SCHEMBL28103795 0.88 CTSK (0.51) CTSSCTSKCTSLCTSBHDAC8
SCHEMBL7505664 0.88 CTSS (0.57) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8345787 0.87 CTSS (0.64) CTSSCTSKCTSLCTSBAKT1
SCHEMBL19359503 0.86 KLK7 (0.56) CTSSCTSKCTSLCTSB
SCHEMBL19359501 0.86 KLK7 (0.56) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 EP claimed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 WO claimed
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 EP disclosed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 WO disclosed