SCHEMBL9754319

SCHEMBL9754319

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.57
CTSK P43235 2/20 0.57
CTSB P07858 2/20 0.57
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
CTSD P07339 4/20 0.51
ELANE P08246 1/20 0.49
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CA2 P00918 2/20 0.46
REN P00797 1/20 0.46
TACR1 P25103 1/20 0.46
PTPN1 P18031 1/20 0.46
PSENEN Q9NZ42 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL9754315 1.00 CTSS (0.57) CTSSCTSKCTSBMMEACE
SCHEMBL9754243 0.88 CTSD (0.62) CTSSCTSKCTSBMMEACE
SCHEMBL9754245 0.88 CTSD (0.62) CTSSCTSKCTSBMMEACE
SCHEMBL5630007 0.87 CTSS (0.69) CTSSCTSKCTSBACEKLK5
SCHEMBL31584535 0.87 CTSS (0.69) CTSSCTSKCTSBACEKLK5
SCHEMBL5844919 0.84 CTSS (0.64) CTSSCTSKCTSBMMEACE
SCHEMBL9754222 0.81 REN (0.54) MMEACECPA1ACE2REN
SCHEMBL9754227 0.81 REN (0.54) MMEACECPA1ACE2REN
SCHEMBL7377285 0.81 REN (0.56) CTSSCTSKCTSBCTSDELANE
SCHEMBL7377290 0.81 REN (0.56) CTSSCTSKCTSBCTSDELANE

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
WO-1991008221-A1 PEPTIDE INHIBITORS OF HIV PROTEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-06-13 WO disclosed