SCHEMBL5248463

SCHEMBL5248463

CCOC(=O)Oc1sc(OC(=O)O)c2c1-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.42
ALDH1A1 P00352 7/20 0.39
ALOX5 P09917 2/20 0.39
GLA P06280 3/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL5252071 0.83 BCHE (0.43) TYMSALDH1A1ALOX5MAPTKMT2A
SCHEMBL5253913 0.81 TYMS (0.41) TYMSALDH1A1ALOX5GLACTDSP1
SCHEMBL4840445 0.73 MAPT (0.44) ALDH1A1GLACTDSP1MAPTKMT2A
SCHEMBL6204224 0.69 TYMS (0.37) TYMSALDH1A1ALOX5GLACTDSP1
SCHEMBL4843861 0.68 ALDH1A1 (0.43) ALDH1A1GLACTDSP1MAPTKMT2A
SCHEMBL1960366 0.66 TYMS (0.51) TYMSALDH1A1GLAMAPTKMT2A
SCHEMBL37520 0.65 MAPT (0.56) ALDH1A1ALOX5MAPTKMT2AMEN1
SCHEMBL1839147 0.64 L3MBTL1 (0.49) TYMSALDH1A1ALOX5TDP1KDM4E
SCHEMBL8526462 0.64 ALDH1A1 (0.44) TYMSALDH1A1ALOX5KMT2AMEN1
SCHEMBL17697666 0.64 LMNA (0.47) TYMSALDH1A1ALOX5MAPTKMT2A

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-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP claimed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed