SCHEMBL5075351

SCHEMBL5075351

CC(C)OC(=O)C(O)(O)C(CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGD P52209 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL3282741 0.73 SLC22A6 (0.43) SLC22A6TDP1PGDSMN1; SMN2
SCHEMBL3282078 0.73 LMNA (0.34) MEN1KMT2ATSHRMMP1MMP2
SCHEMBL26324855 0.71 TSHR (0.43) MEN1KMT2ATSHRTDP1SMN1; SMN2
SCHEMBL14558024 0.69 TDP1 (0.42) SLC22A6TSHRTDP1PGDSMN1; SMN2
SCHEMBL8106901 0.68 RNPEP (0.34) MEN1KMT2ATSHRMMP1MMP2
SCHEMBL1941442 0.66 TDP1 (0.43) SLC22A6TSHRTDP1PGDSMN1; SMN2
SCHEMBL1941444 0.66 TDP1 (0.43) SLC22A6TSHRTDP1PGDSMN1; SMN2
SCHEMBL28117913 0.66 TDP1 (0.43) SLC22A6TSHRTDP1PGDSMN1; SMN2
SCHEMBL8853350 0.66 TDP1 (0.43) SLC22A6TSHRTDP1PGDSMN1; SMN2
SCHEMBL20131344 0.66 TDP1 (0.39) SLC22A6TDP1PGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937246-A2 HYDROXY-OLIGOCARBOXYLIC ESTERS: EFFECTS ON NERVE AND USE FOR CUTANEOUS AND MUCOCUTANEOUS ORGANS OR SITES Yu, Ruey J., Dr. (US) 2008-07-02 EP disclosed
WO-2007047486-A2 HYDROXY-OLIGOCARBOXYLIC ESTERS: EFFECTS ON NERVE AND USE FOR CUTANEOUS AND MUCOCUTANEOUS ORGANS OR SITES YU RUEY J (US) 2007-04-26 WO disclosed