SCHEMBL12612570

SCHEMBL12612570

C=CC[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.50
▸ CDC25B P30305 7/20 0.50
▸ PTPN2 P17706 5/20 0.50
▸ CDC25A P30304 3/20 0.50
▸ PTPN6 P29350 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ NT5E P21589 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MDM2 Q00987 2/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ TACR2 P21452 3/20 0.41
▸ KLK7 P49862 2/20 0.39
▸ KLK5 Q9Y337 2/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL14001397 1.00 PTPN1 (0.50) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL26987071 0.89 NT5E (0.44) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL15514995 0.86 PTPN1 (0.55) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL12651939 0.80 GJB2 (0.33) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL1170857 0.79 PTPN1 (0.48) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL1170859 0.79 PTPN1 (0.48) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL16229071 0.78 HTR1A (0.49) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL1033002 0.78 HTR1A (0.49) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL8733842 0.78 HTR1A (0.49) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL21013401 0.78 HTR1A (0.49) PTPN1CDC25BPTPN2PTPN6PTPN11

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-7951905-B2 Synthesis of carbohydrate-templated amino acids and methods of using same UNIVERSITY OF MANITOBA (CA) 2011-05-31 — — US disclosed
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