SCHEMBL27642829

SCHEMBL27642829

CC(N)c1ccccc1.O=C(O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.73
CPA3 P15088 3/20 0.73
CPB1 P15086 1/20 0.73
CPB2 Q96IY4 1/20 0.73
ANPEP P15144 1/20 0.59
RNPEP Q9H4A4 1/20 0.59
DNPEP Q9ULA0 1/20 0.59
LTA4H P09960 2/20 0.57
CYP1A2 P05177 1/20 0.56
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
FOLH1 Q04609 2/20 0.52
MME P08473 1/20 0.51
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49

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
SCHEMBL7521975 0.86 CYP1A2 (0.58) CPA1CPA3CPB1CPB2ANPEP
SCHEMBL1915564 0.85 CPA1 (1.00) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL5688996 0.85 CPA1 (1.00) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL393002 0.85 CPA1 (1.00) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL3421012 0.84 CPA1 (0.96) CPA1CPA3CPB1CPB2LTA4H
Alcohol SCHEMBL28211096 0.82 CPA1 (0.86) CPA1CPA3CPB1CPB2ANPEP
Dl-Phenylalanine SCHEMBL15064922 0.81 SLC7A5 (0.76) ANPEPRNPEPDNPEPLTA4HSLC1A3
Succinic Acid SCHEMBL28290802 0.80 CPA1 (0.89) CPA1CPA3CPB1CPB2LTA4H
3-Methylbutanoic Acid SCHEMBL27920816 0.79 GABBR2 (0.52)
SCHEMBL17537907 0.78 CPA1 (0.84) CPA1CPA3CPB1CPB2LTA4H

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
CN-1844096-A Preparation of mitiglinide calcium and its quality control method YAN JIE (CN) 2006-10-11 CN disclosed