SCHEMBL7317655

SCHEMBL7317655

O=C(O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H]1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSS P25774 5/20 0.34
CTSL P07711 3/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A3 Q01959 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSB P07858 1/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL7298274 1.00 HPGD (0.37) HPGDGAAL3MBTL1CTSSCTSL
SCHEMBL7321106 0.80 REN (0.43) REN
SCHEMBL7312408 0.80 REN (0.43) REN
SCHEMBL968973 0.75 CYP2D6 (0.42) REN
SCHEMBL968972 0.75 CYP2D6 (0.42) REN
SCHEMBL7316735 0.75 HPGD (0.49) HPGDGAAPOLBHSD17B10SLC6A3
SCHEMBL7316081 0.75 HPGD (0.49) HPGDGAAPOLBHSD17B10SLC6A3
SCHEMBL1862727 0.74 LTA4H (0.43) CTSLMEN1KMT2ACTSBREN
SCHEMBL7292991 0.74 REN (0.43) HPGDKMT2AREN
SCHEMBL7429514 0.74 REN (0.43) REN

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
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed