SCHEMBL7429913

SCHEMBL7429913

CC(C)[C@@H](CCCC(C)(C)C(=O)O)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.47
METAP2 P50579 6/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CPB2 Q96IY4 3/20 0.36
METAP1 P53582 4/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7436027 0.82 REN (0.52) RENMETAP2CPB2METAP1
SCHEMBL9728015 0.81 REN (0.44) RENMETAP2CPB2METAP1
SCHEMBL9728012 0.81 REN (0.44) RENMETAP2CPB2METAP1
SCHEMBL7433023 0.79 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9260290 0.77 REN (0.50) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9727591 0.74 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9727598 0.74 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9177605 0.73 REN (0.53) RENMETAP2CPB2METAP1
SCHEMBL7291539 0.73 REN (0.53) RENMETAP2CPB2METAP1
SCHEMBL10433749 0.73 REN (0.53) RENMETAP2CPB2METAP1

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
EP-0391179-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed