SCHEMBL9800968

SCHEMBL9800968

C=CCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.48
PTPN1 P18031 11/20 0.37
CDC25B P30305 7/20 0.37
PTPN2 P17706 6/20 0.37
PTPN11 Q06124 5/20 0.37
PTPN6 P29350 4/20 0.37
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
TYMP P19971 1/20 0.34

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
SCHEMBL17241441 0.91 PTPN1 (0.40) NT5EPTPN1PTPN2PTPN11TYMP
SCHEMBL17241440 0.91 PTPN1 (0.40) NT5EPTPN1PTPN2PTPN11TYMP
SCHEMBL7901248 0.88 SSTR1 (0.43) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL16581497 0.88 SSTR1 (0.43) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9801115 0.88 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9800967 0.88 SSTR1 (0.42) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9801108 0.86 NT5E (0.46) NT5EPTPN1CDC25B
SCHEMBL9800966 0.84 SLC6A2 (0.41) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL11194912 0.84 NT5E (0.46) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11514915 0.82 SSTR1 (0.42) NT5EPTPN1CDC25BPTPN2PTPN11

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-4987223-A INTERMEDIATES FOR GLYCOSIDE ENZYME SUBSTRATES CHOAY S.A. (FR) 1991-01-22 US disclosed