SCHEMBL7399073

SCHEMBL7399073

COC(C)OCOCCN(C)C(=O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 7/20 0.43
CPA3 P15088 2/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
CYP1A2 P05177 1/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
MME P08473 1/20 0.39
LTA4H P09960 1/20 0.38
REN P00797 2/20 0.38
FOLH1 Q04609 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL9556127 1.00 CPA1 (0.43) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7290455 0.85 CPA1 (0.46) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7399070 0.85 CPA1 (0.46) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7433358 0.82 CPA1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7279259 0.77 CHRNB2 (0.43) HPGD
SCHEMBL7438742 0.77 REN (0.44) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7290438 0.77 CPA1 (0.44) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7280064 0.76 CPA1 (0.57) CPA1CPA3CPB1CPB2CYP1A2
Hydrochloric Acid SCHEMBL10449746 0.75 CPA1 (0.55) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7436937 0.73 MME (0.41) CPA1CPA3CPB1CPB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587767-A1 HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS SRI INTERNATIONAL (US) 1994-03-23 EP disclosed
WO-1992021696-A1 HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS SRI INTERNATIONAL (US) 1992-12-10 WO disclosed