SCHEMBL10945729

SCHEMBL10945729

CC(C(C(=O)O)C(=O)O)(C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 0.52
▸ CDC25B P30305 10/20 0.52
▸ PTPN2 P17706 8/20 0.52
▸ PTPN11 Q06124 6/20 0.52
▸ PTPN6 P29350 5/20 0.52
▸ NT5E P21589 1/20 0.50
▸ CDC25A P30304 2/20 0.49
▸ TACR2 P21452 3/20 0.48
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44

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
SCHEMBL10951211 0.86 PTPN1 (0.49) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL264635 0.82 HTR1A (0.50) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL11913249 0.81 NT5E (0.54) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL15873499 0.81 NT5E (0.54) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL15873543 0.81 NT5E (0.54) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL15873498 0.81 NT5E (0.54) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL13599703 0.81 NT5E (0.54) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL11913250 0.81 NT5E (0.54) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL5948268 0.80 NT5E (0.53) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL5948003 0.80 NT5E (0.53) PTPN1CDC25BPTPN2PTPN11PTPN6

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
US-4572907-A High caloric product for I.V. administration ABBOTT LABORATORIES (US) 1986-02-25 — — US disclosed
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