SCHEMBL7437312

SCHEMBL7437312

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.48
CPB2 Q96IY4 6/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
METAP2 P50579 2/20 0.40
SLC1A2 P43004 3/20 0.39
SLC1A3 P43003 2/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC1A1 P43005 2/20 0.38
METAP1 P53582 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
SCHEMBL4073025 0.79 REN (0.52) RENALDH1A1KMT2AMETAP2METAP1
SCHEMBL9697153 0.79 REN (0.46) RENALDH1A1KMT2AMETAP2SLC1A2
SCHEMBL7436906 0.78 REN (0.50) RENCPB2ALDH1A1KMT2AMETAP2
SCHEMBL7436910 0.78 REN (0.50) RENCPB2ALDH1A1KMT2AMETAP2
SCHEMBL7279876 0.77 REN (0.55) RENALDH1A1KMT2AMETAP2METAP1
SCHEMBL7275926 0.76 REN (0.47) RENCPB2METAP2METAP1
SCHEMBL7275933 0.76 REN (0.47) RENCPB2METAP2METAP1
SCHEMBL7367047 0.75 REN (0.55) RENALDH1A1KMT2AMETAP2METAP1
Hydrochloric Acid SCHEMBL9876283 0.74 REN (0.54) RENALDH1A1KMT2AMETAP2METAP1
Hydrochloric Acid SCHEMBL9875689 0.74 REN (0.48) RENMETAP2METAP1

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