SCHEMBL19400393

SCHEMBL19400393

CC[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](N)CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.49
▸ CDC25B P30305 8/20 0.49
▸ SSTR1 P30872 1/20 0.46
▸ SSTR2 P30874 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ SSTR3 P32745 1/20 0.46
▸ SSTR5 P35346 1/20 0.46
▸ PTPN2 P17706 6/20 0.45
▸ PTPN11 Q06124 5/20 0.45
▸ PTPN6 P29350 4/20 0.45
▸ NT5E P21589 1/20 0.45
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SELP P16109 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
SCHEMBL26453858 0.91 PTPN1 (0.55) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL22168445 0.90 SSTR1 (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL27064271 0.90 SSTR1 (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL22168496 0.88 GJB2 (0.41) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL29827603 0.83 SSTR1 (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL2293239 0.82 PTPN1 (0.56) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL2290632 0.82 PTPN1 (0.56) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL12380707 0.82 PTPN1 (0.56) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL2293235 0.82 PTPN1 (0.56) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL13058739 0.82 PTPN1 (0.56) PTPN1CDC25BSSTR1SSTR2SSTR4

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-2017163808-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION 学校法人慶應義塾 2017-09-28 — — WO disclosed
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