SCHEMBL7170086

SCHEMBL7170086

CC(=O)O[C@H]1C(OC(=N)C(Cl)(Cl)Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.53
PTPN1 P18031 11/20 0.48
CDC25B P30305 8/20 0.48
PTPN2 P17706 6/20 0.45
PTPN11 Q06124 5/20 0.45
PTPN6 P29350 4/20 0.45
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
TACR2 P21452 2/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL21537642 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14363524 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL19731854 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7169887 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2485383 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL24672154 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14088865 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14598383 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL22315183 0.96 NT5E (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL22073056 0.94 NT5E (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573246-B1 Anticancer agents THE LIPOSOME COMPANY, INC. 2003-06-03 US disclosed
US-6153736-A ANTICANCER AGENTS THE LIPOSOME COMPANY, INC. (US) 2000-11-28 US disclosed