SCHEMBL9740972

SCHEMBL9740972

CC(C)(C)OC(=O)[N@+]1(N(C(=O)C(CC(=O)C(C)(C)C)Cc2ccccc2)[C@@H](Cc2c[nH]cn2)C(=O)O)C=CC=CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9554635 0.77 LTA4H (0.42)
SCHEMBL9554926 0.72 LTA4H (0.37) POLBMAPT
SCHEMBL9727512 0.68 MME (0.47)
SCHEMBL7153646 0.67 TDP1 (0.39) POLBMAPTTDP1
SCHEMBL6710716 0.67 TDP1 (0.39) POLBMAPTTDP1
SCHEMBL7379297 0.66 ACE (0.48) POLBMAPTTDP1
SCHEMBL7269757 0.66 BIRC2 (0.49)
SCHEMBL31690300 0.65 CYP1A2 (0.61)
SCHEMBL9320151 0.65 TPSAB1 (0.43) POLBMAPTTDP1
SCHEMBL7196919 0.64 L3MBTL1 (0.39) POLBMAPTTDP1

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-5134123-A Renin enzyme inhibitors for cardiovascular disorders and high blood pressure HOFFMAN-LA ROCHE INC. (US) 1992-07-28 US disclosed