SCHEMBL9750429

SCHEMBL9750429

C=C(C)C[C@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
REN P00797 13/20 0.36
AAK1 Q2M2I8 1/20 0.35
CYP3A4 P08684 1/20 0.33
CACNA1B Q00975 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL10425107 1.00 CTSS (0.41) CTSSCTSKRENAAK1CYP3A4
SCHEMBL9533345 1.00 CTSS (0.41) CTSSCTSKRENAAK1CYP3A4
SCHEMBL7273551 0.92 CTSS (0.41) CTSSCTSKRENAAK1CYP3A4
SCHEMBL7436106 0.92 CTSS (0.41) CTSSCTSKRENAAK1CYP3A4
SCHEMBL7367392 0.88 CTSK (0.44) CTSSCTSKRENAAK1CYP3A4
SCHEMBL9750048 0.88 CTSK (0.44) CTSSCTSKRENAAK1CYP3A4
SCHEMBL10669320 0.88 CTSK (0.44) CTSSCTSKRENAAK1CYP3A4
SCHEMBL10424653 0.87 CTSS (0.43) CTSSCTSKRENAAK1CYP3A4
SCHEMBL7307733 0.86 CTSS (0.41) CTSSCTSKRENAAK1CYP3A4
SCHEMBL7307731 0.86 CTSS (0.41) CTSSCTSKRENAAK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212903-B1 POLYPEPTIDE DERIVATIVES CONTAINING 5-AMINO-2,5-DISUBSTITUTED-4-HYDROXYPENTANOIC ACID RESIDUES PFIZER INC. (US) 1992-12-30 EP disclosed
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed