SCHEMBL8444516

SCHEMBL8444516

CC(=O)OCCOCn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.49
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
TK1 P04183 2/20 0.45
HPGD P15428 1/20 0.44
TK2 O00142 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
SCHEMBL8780707 0.87 TYMP (0.61) TYMPKMT2AMAPK1TK1HPGD
SCHEMBL23897613 0.86 MAPK1 (0.51) TYMPMAPK1TK1HPGD
SCHEMBL13671535 0.84 GRIA1 (0.47) MEN1TSHRKMT2A
SCHEMBL11099078 0.84 LMNA (0.51) MEN1TSHRKMT2A
SCHEMBL13723199 0.84 TYMP (0.45) TYMPMEN1KMT2AMAPK1TK1
SCHEMBL4088248 0.82 UPP1 (0.57) TYMPMAPK1HPGD
SCHEMBL13402919 0.82 TYMP (0.54) TYMPMAPK1TK1HPGDTK2
SCHEMBL13724173 0.82 MEN1 (0.55) TYMPMEN1KMT2AMAPK1TK1
SCHEMBL4094755 0.82 TK1 (0.63) MAPK1TK1HPGDTK2
SCHEMBL10457105 0.81 KMT2A (0.43) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9124612-A None JP disclosed
EP-0766691-B1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX INC (US) 1999-11-10 EP disclosed
US-5679684-A INTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS, NERVOUS SYSTEM DISORDERS, AIDS MACRONEX, INC. (US) 1997-10-21 US disclosed
JP-H09124612-A PRODUCTION OF ACYCLONUCLEOSIDE MITSUBISHI CHEM CORP 1997-05-13 JP disclosed
EP-0766691-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1997-04-09 EP disclosed
US-5550132-A TREATING SEPTIC SHOCK, CACHEXIA, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, MULTIPLE SCLEROSIS, AIDS UNIVERSITY OF NORTH CAROLINA (US) 1996-08-27 US 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