SCHEMBL7281124

SCHEMBL7281124

CC(C)(C)SCC(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 7/20 0.59
CPA3 P15088 3/20 0.57
CPB1 P15086 1/20 0.57
CPB2 Q96IY4 1/20 0.57
CYP1A2 P05177 1/20 0.54
MME P08473 2/20 0.50
FOLH1 Q04609 2/20 0.49
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45

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
SCHEMBL7290672 0.81 CYP1A2 (0.61) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7272157 0.81 CYP1A2 (0.61) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9554487 0.80 CPA1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9554494 0.80 CPA1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL10076047 0.78 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7286651 0.77 CPA1 (0.59) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9820177 0.77 CPA1 (0.59) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7278058 0.76 CPA1 (0.71) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9222947 0.76 CPA1 (0.71) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9554964 0.76 CPA1 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed