SCHEMBL8992053

SCHEMBL8992053

OC[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)O[C@@H]1COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.46
SLC6A2 P23975 2/20 0.43
PTPN1 P18031 5/20 0.42
CDC25B P30305 5/20 0.42
HTR1A P08908 1/20 0.42
NT5E P21589 1/20 0.42
GJB2 P29033 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
TACR2 P21452 2/20 0.41
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
PTPN11 Q06124 2/20 0.40
PDPK1 O15530 1/20 0.40

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
SCHEMBL8992043 1.00 PDE4D (0.46) PDE4DSLC6A2PTPN1CDC25BHTR1A
SCHEMBL9727220 0.90 PTPN1 (0.47) SLC6A2PTPN1CDC25BNT5EGJB2
SCHEMBL9727010 0.90 PTPN1 (0.52) PTPN1CDC25BHTR1ANT5EGJB2
SCHEMBL9727015 0.90 PTPN1 (0.52) PTPN1CDC25BHTR1ANT5EGJB2
SCHEMBL9727225 0.90 PTPN1 (0.47) SLC6A2PTPN1CDC25BNT5EGJB2
SCHEMBL1562065 0.88 HTR1A (0.52) PDE4DPTPN1CDC25BHTR1ANT5E
SCHEMBL14747295 0.88 HTR1A (0.52) PDE4DPTPN1CDC25BHTR1ANT5E
SCHEMBL264552 0.88 HTR1A (0.52) PDE4DPTPN1CDC25BHTR1ANT5E
SCHEMBL5027926 0.88 HTR1A (0.52) PDE4DPTPN1CDC25BHTR1ANT5E
SCHEMBL12896357 0.88 HTR1A (0.52) PDE4DPTPN1CDC25BHTR1ANT5E

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-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-0422975-B1 Alpha-glucosidase inhibitors MERRELL DOW PHARMA (US) 1994-07-27 EP disclosed
US-5157116-A Antidiabetic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed
US-5097023-A α-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-17 US disclosed