SCHEMBL7363077

SCHEMBL7363077

O=C(O)C(CO)N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
CTRB1 P17538 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL10333560 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8764792 0.87 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL7275088 0.87 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8764783 0.87 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL19100591 0.85 MAPT (0.44) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL19100588 0.85 MAPT (0.44) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6849355 0.85 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8765293 0.85 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8765302 0.85 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL2007252 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207527-A Pyridooxazinone compounds as TNAP inhibitors 第三共株式会社 2017-09-26 CN disclosed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed
US-4935503-A One step; using peroxydisulfate, ferrous, azide, and chloride salt BIOMIRA, INC. (CA) 1990-06-19 US disclosed
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed