SCHEMBL8992078

SCHEMBL8992078

O=C(O)[C@H](OOCc1ccccc1)[C@@H](OOCc1ccccc1)[C@H](O)[C@H](O)COOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4955338 0.79 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL10472894 0.79 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7603543 0.77 SLC1A1 (0.47) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL4409725 0.73 CA1 (0.41) KMT2ACYP1A2CYP2C19ALDH1A1CA1
SCHEMBL4411606 0.73 CA1 (0.41) KMT2ACYP1A2CYP2C19ALDH1A1CA1
SCHEMBL620071 0.72 CA1 (0.53) CYP1A2CYP2C19ALDH1A1CA1CA2
SCHEMBL4412607 0.70 CA1 (0.43) KMT2ACYP1A2CYP2C19ALDH1A1CA1
SCHEMBL9736749 0.69 CA1 (0.35) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL9735971 0.69 CA1 (0.35) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
Bicarbonate SCHEMBL9066694 0.68 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504078-A α-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1996-04-02 US disclosed
EP-0532668-B1 NOVEL ALPHA-GLUCOSIDASE INHIBITORS MERRELL DOW PHARMA (US) 1995-11-15 EP disclosed
EP-0345104-B1 Novel Alpha-glucosidase inhibitors MERRELL DOW PHARMA (US) 1995-11-02 EP disclosed
EP-0532668-A1 NOVEL -g(a)-GLUCOSIDASE INHIBITORS. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
US-5157116-A Antidiabetic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed
WO-1991018915-A1 NOVEL α-GLUCOSIDASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed
EP-0345104-A2 Novel Alpha-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-06 EP disclosed
EP-0344383-A1 Novel alpha-Glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-06 EP disclosed