SCHEMBL7833562

SCHEMBL7833562

CC1(C)O[C@@H]2[C@@H](O1)[C@H](OCc1ccccc1)[C@@H](O)[C@H]1OC(C)(C)O[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.41
MTOR P42345 1/20 0.41
IDO1 P14902 1/20 0.39
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
GSTP1 P09211 2/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 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
SCHEMBL14180112 0.94 PDPK1 (0.43) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL17821298 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL3867701 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL3856126 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL3859887 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL13683691 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL14180109 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL17827490 0.93 PDPK1 (0.42) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL8690255 0.91 PDPK1 (0.41) PDPK1MTORIDO1BCHEALDH1A1
SCHEMBL14180110 0.91 PDPK1 (0.41) PDPK1MTORIDO1BCHEALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756774-A Synthesis of myo-inositol phosphates ELAN PHARMACEUTICALS, INC. 1998-05-26 US claimed
CN-1122030-C Process for synthesis of inositol phosphates RES FUNDATION OF NEWYORK UNIV (US) 2003-09-24 CN disclosed
EP-0975620-A4 NOVEL SYNTHESIS OF MYO-INOSITOL PHOSPHATES UNIV CITY (US) 2001-01-31 EP disclosed
CN-1265105-A Novel synthesis of myo-inositol phosphates RES FUNDATION OF NEWYORK UNIV (US) 2000-08-30 CN disclosed
EP-0975620-A1 NOVEL SYNTHESIS OF MYO-INOSITOL PHOSPHATES The Research Foundation of the City University of New York (US) 2000-02-02 EP disclosed
WO-1998033790-A1 NOVEL SYNTHESIS OF MYO-INOSITOL PHOSPHATES THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF (US) 1998-08-06 WO disclosed
US-5756774-A Synthesis of myo-inositol phosphates ELAN PHARMACEUTICALS, INC. 1998-05-26 US disclosed
US-5756774-A Synthesis of myo-inositol phosphates ELAN PHARMACEUTICALS, INC. 1998-05-26 US disclosed