SCHEMBL8208751

SCHEMBL8208751

CC(C)(C)OC(=O)CCC(CCCCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSTK1 Q9Y2Q3 1/20 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
SCHEMBL17079748 0.87 MEN1 (0.49) FOLH1MEN1GAAKMT2AFFAR4
SCHEMBL8882482 0.85 GRIK1 (0.49) FOLH1MEN1GAAKMT2AFFAR4
SCHEMBL26211667 0.83 GSTK1 (0.47) MEN1KMT2AFFAR4FFAR1ALDH1A1
SCHEMBL28756039 0.83 TDP1 (0.46) FOLH1MEN1GAAKMT2AFFAR4
SCHEMBL1403596 0.82 TSHR (0.52) MEN1KMT2AFFAR4FFAR1ALDH1A1
SCHEMBL4287823 0.81 CA2 (0.52) FOLH1MEN1GAAKMT2ASLC1A1
SCHEMBL4287818 0.81 CA2 (0.52) FOLH1MEN1GAAKMT2ASLC1A1
SCHEMBL28625289 0.80 CA2 (0.52) FOLH1MEN1GAAKMT2AFFAR4
SCHEMBL25176741 0.80 TSHR (0.52) MEN1KMT2AFFAR4FFAR1ALDH1A1
SCHEMBL16323109 0.80 TSHR (0.52) MEN1KMT2AFFAR4FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005450-A4 METHOD OF UTILIZING ISOCYANATE LINKAGES FOR FORMING MULTI-TIER CASCADE POLYMERS UNIV SOUTH FLORIDA (US) 2000-10-25 EP disclosed
EP-1005450-A1 METHOD OF UTILIZING ISOCYANATE LINKAGES FOR FORMING MULTI-TIER CASCADE POLYMERS UNIVERSITY OF SOUTH FLORIDA (US) 2000-06-07 EP disclosed
WO-1997036857-A1 METHOD OF UTILIZING ISOCYANATE LINKAGES FOR FORMING MULTI-TIER CASCADE POLYMERS UNIVERSITY OF SOUTH FLORIDA (US) 1997-10-09 WO disclosed