SCHEMBL6548558

SCHEMBL6548558

OCC(O)C1CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GMNN O75496 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
EPHX1 P07099 3/20 0.40
SHBG P04278 1/20 0.40
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL409112 1.00 TP53 (0.61) TP53KDM4ESMN1; SMN2GMNNLMNA
SCHEMBL11409900 1.00 TP53 (0.61) TP53KDM4ESMN1; SMN2GMNNLMNA
SCHEMBL11062825 1.00 TP53 (0.61) TP53KDM4ESMN1; SMN2GMNNLMNA
SCHEMBL6472994 1.00 TP53 (0.61) TP53KDM4ESMN1; SMN2GMNNLMNA
SCHEMBL1868088 0.97
SCHEMBL4349330 0.92
Acetonitrile SCHEMBL27439464 0.87 TP53 (0.48) TP53KDM4ESMN1; SMN2GMNNLMNA
SCHEMBL2246490 0.85
SCHEMBL1472491 0.85
SCHEMBL10882332 0.85 TP53 (0.42) TP53KDM4ESMN1; SMN2GMNNLMNA

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
EP-0608307-B1 NEW LIGANDS FOR ASYMMETRIC DIHYDROXYLATION: MULTIPLE CINCHONA ALKALOID UNITS ATTACHED TO A CENTRAL HETEROCYCLIC CORE MASSACHUSETTS INST TECHNOLOGY (US) 2004-02-04 EP disclosed
US-5516929-A USING ALKALOID AROMATIC ETHER DERIVATIVES OF DIHYDROQUININE AND DIHYDROQUINIDINE ALONG WITH OSMIUM COMPOUND, BASE, AND POTASSIUM FERRICYANIDE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-05-14 US disclosed
EP-0608307-A1 NEW LIGANDS FOR ASYMMETRIC DIHYDROXYLATION: MULTIPLE CINCHONA ALKALOID UNITS ATTACHED TO A CENTRAL HETEROCYCLIC CORE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-08-03 EP disclosed
US-5260461-A Asymmetric dihydroxylation of olefins, osmium tetraoxide stereoselective catalyst, enantiomers, ferricyanide salt MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-11-09 US disclosed
US-5227543-A Assymetric dihydroxylation of olefins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-07-13 US disclosed
EP-0543969-A1 HETEROCYCLIC CHIRAL LIGANDS AND METHOD FOR CATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-06-02 EP disclosed
WO-1993007142-A1 NEW LIGANDS FOR ASYMMETRIC DIHYDROXYLATION: MULTIPLE CINCHONA ALKALOID UNITS ATTACHED TO A CENTRAL HETEROCYCLIC CORE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-04-15 WO disclosed
WO-1992020677-A1 HETEROCYCLIC CHIRAL LIGANDS AND METHOD FOR CATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-11-26 WO disclosed