SCHEMBL9984160

SCHEMBL9984160

O=C(Cc1cc([C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)ccc1Cl)NCC(=O)c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.37
▸ SLC5A2 P31639 3/20 0.36
▸ NT5E P21589 1/20 0.36
▸ PTPN1 P18031 10/20 0.35
▸ CDC25B P30305 8/20 0.35
▸ PTPN2 P17706 6/20 0.35
▸ PTPN11 Q06124 6/20 0.35
▸ PTPN6 P29350 5/20 0.35
▸ TACR2 P21452 2/20 0.35
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ CDC25A P30304 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
SCHEMBL14841708 1.00 BCHE (0.37) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL2131750 0.85 BCHE (0.41) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL2129610 0.82 NT5E (0.42) BCHENT5EPTPN1CDC25BPTPN2
SCHEMBL2133682 0.81 PTPN1 (0.43) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL9984091 0.80 SLC5A2 (0.45) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL2130169 0.80 BCHE (0.43) BCHESLC5A2NT5EPTPN1CDC25B
Hydrochloric Acid SCHEMBL9984358 0.77 PTPN1 (0.41) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL2130715 0.77 PTPN1 (0.39) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL15610890 0.77 PTPN1 (0.43) BCHESLC5A2NT5EPTPN1CDC25B
SCHEMBL2131297 0.77 PTPN1 (0.43) BCHESLC5A2NT5EPTPN1CDC25B

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
WO-2011159067-A2 THIAZOLE DERIVATIVES AS SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2011-12-22 — — WO disclosed
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