SCHEMBL9706801

SCHEMBL9706801

C[C@@H]1O[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.52
MTOR P42345 1/20 0.52
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
FUCA1 P04066 1/20 0.36
NT5E P21589 1/20 0.35
CETP P11597 3/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
RECQL P46063 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
SCHEMBL9706806 1.00 PDPK1 (0.52) PDPK1MTORTSHRBCHESSTR1
SCHEMBL9301165 0.88 PDPK1 (0.65) PDPK1MTORTSHRBCHESSTR1
SCHEMBL9299791 0.88 PDPK1 (0.65) PDPK1MTORTSHRBCHESSTR1
SCHEMBL4907264 0.87 PDPK1 (0.44) PDPK1MTORTSHRBCHESSTR1
SCHEMBL1764273 0.87 PDPK1 (0.44) PDPK1MTORTSHRBCHESSTR1
SCHEMBL1763811 0.83 PDPK1 (0.43) PDPK1MTORTSHRCETPRECQL
SCHEMBL13274591 0.83 PDPK1 (0.43) PDPK1MTORTSHRCETPRECQL
SCHEMBL7775231 0.82 PDPK1 (0.45) PDPK1MTORTSHRBCHESSTR1
SCHEMBL23563202 0.81 ALDH1A1 (0.39) PDPK1MTORTSHRFUCA1CETP
SCHEMBL9300189 0.81 ALDH1A1 (0.39) PDPK1MTORTSHRFUCA1CETP

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-0502298-A2 Process for the stereo-selective preparation of beta-fucopyranosyl phosphates and very pure GDP-fucose MERCK PATENT GmbH (DE) 1992-09-09 EP disclosed