SCHEMBL20056451

SCHEMBL20056451

CCC(O)C1O[C@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
CDC25B P30305 8/20 0.42
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
HTT P42858 1/20 0.39
PTPN2 P17706 4/20 0.39
PTPN6 P29350 4/20 0.39
PTPN11 Q06124 4/20 0.39
BCHE P06276 2/20 0.37

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
SCHEMBL16027498 1.00 PTPN1 (0.42) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL16027496 1.00 PTPN1 (0.42) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL16076925 0.91 PTPN1 (0.40) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL16027346 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL16027437 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL4285024 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL4283122 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL16027344 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL16027439 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1
SCHEMBL20056306 0.86 PTPN1 (0.46) PTPN1CDC25BPDPK1MTORSSTR1

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
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed