SCHEMBL8780707

SCHEMBL8780707

CC(=O)OCCOCCn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.61
TK2 O00142 6/20 0.57
MAPK1 P28482 1/20 0.44
TK1 P04183 2/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8444516 0.87 TYMP (0.49) TYMPTK2MAPK1TK1HPGD
SCHEMBL11252365 0.85 LMNA (0.56) TYMPTK2MAPTCYP2C9KMT2A
SCHEMBL23897613 0.79 MAPK1 (0.51) TYMPMAPK1TK1HPGD
SCHEMBL17583277 0.79 TYMP (0.63) TYMPTK2MAPK1TK1HPGD
SCHEMBL17583278 0.78 TYMP (0.54) TYMPTK2MAPK1TK1HPGD
SCHEMBL3854773 0.76 TYMP (1.00) TYMPTK2MAPK1TK1HPGD
SCHEMBL6153435 0.76 TYMP (0.66) TYMPTK2MAPK1TK1HPGD
SCHEMBL24322118 0.75 TYMP (0.54) TYMPTK2MAPK1TK1HPGD
SCHEMBL30903369 0.74 TYMP (0.60) TYMPTK2MAPK1TK1HPGD
SCHEMBL23453029 0.74 TYMP (0.59) TYMPTK2MAPK1TK1HPGD

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-0766691-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1997-04-09 EP disclosed
WO-1995035304-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1995-12-28 WO disclosed