SCHEMBL9755800

SCHEMBL9755800

N#CCC(=O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.71
CPA1 P15085 10/20 0.64
CPA3 P15088 3/20 0.62
CPB1 P15086 1/20 0.62
CPB2 Q96IY4 1/20 0.62
CYP1A2 P05177 1/20 0.59
FOLH1 Q04609 1/20 0.53
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48

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
SCHEMBL9755796 1.00 MME (0.71) MMECPA1CPA3CPB1CPB2
SCHEMBL9755834 0.83 MME (1.00) MMECPA1
SCHEMBL9755802 0.82 MME (0.76) MMEANPEP
SCHEMBL9755807 0.82 MME (0.67) MME
SCHEMBL9755809 0.82 MME (0.67) MME
SCHEMBL17799165 0.80 CPA1 (0.72) MMECPA1CPA3CPB1CPB2
SCHEMBL5966650 0.80 CYP1A2 (0.68) MMECPA1CPA3CPB1CPB2
SCHEMBL1177225 0.78 CPA1 (0.70) MMECPA1CPA3CPB1CPB2
SCHEMBL17948789 0.78 CPA1 (0.70) MMECPA1CPA3CPB1CPB2
SCHEMBL10076047 0.78 CPA1 (0.70) MMECPA1CPA3CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO claimed
WO-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed
WO-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed