SCHEMBL4333829

SCHEMBL4333829

CCCC(=O)O[C@@H]1[C@H](O)[C@@H](C(OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)C(C)C)O[C@H]1n1cnc2c(OC(=O)N(c3ccccc3)c3ccccc3)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.39
ADORA1 P30542 8/20 0.34
ADORA3 P0DMS8 7/20 0.34
ADORA2A P29274 7/20 0.34
ADORA2B P29275 5/20 0.34
HINT1 P49773 1/20 0.33
CARM1 Q86X55 1/20 0.32
TRDMT1 O14717 1/20 0.32

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
SCHEMBL259872 0.86 TYMP (0.31) TYMP
SCHEMBL29657013 0.79 TYMP (0.46) TYMPADORA1
SCHEMBL17599828 0.75 TYMP (0.49) TYMPHINT1
SCHEMBL6831440 0.74 TYMP (0.48) TYMPHINT1
SCHEMBL7647098 0.72 TAAR1 (0.47) TYMPHINT1
SCHEMBL16401878 0.71 TYMP (0.49) TYMPHINT1
SCHEMBL30002219 0.71 TYMP (0.56) TYMPADORA1HINT1
SCHEMBL10446715 0.70 TYMP (0.44) TYMPHINT1
SCHEMBL313747 0.70 TYMP (0.62) TYMPHINT1
SCHEMBL313746 0.70 TYMP (0.62) TYMPHINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057284-A1 COMPOSITIONS AND METHODS FOR THE MODULATION OF JNK PROTEINS Isis Pharmaceuticals, Inc. (US) 2009-05-13 EP disclosed
WO-2008017081-A1 COMPOSITIONS AND METHODS FOR THE MODULATION OF JNK PROTEINS ISIS PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
EP-1572713-A2 ANTISENSE MODULATION OF ACYL-COA SYNTHETASE 1 EXPRESSION Pharmacia Corporation (US) 2005-09-14 EP disclosed
EP-1567538-A2 ANTISENSE MODULATION OF GFAT EXPRESSION Pharmacia Corporation (US) 2005-08-31 EP disclosed
EP-1556509-A2 ANTISENSE MODULATION OF VEGF CO-REGULATED CHEMOKINE-1 EXPRESSION Pharmacia Corporation (US) 2005-07-27 EP disclosed
EP-1543159-A2 ANTISENSE MODULATION OF ENDOTHELIAL SPECIFIC MOLECULE 1 EXPRESSION Pharmacia Corporation (US) 2005-06-22 EP disclosed
WO-2004035763-A2 ANTISENSE MODULATION OF GFAT EXPRESSION PHARMACIA CORPORATION (US) 2004-04-29 WO disclosed
WO-2004021978-A2 ANTISENSE MODULATION OF ENDOTHELIAL SPECIFIC MOLECULE 1 EXPRESSION PHARMACIA CORPORATION (US) 2004-03-18 WO disclosed
WO-2004016749-A2 ANTISENSE MODULATION OF ACYL-COA SYNTHETASE 1 EXPRESSION PHARMACIA CORPORATION (US) 2004-02-26 WO disclosed
WO-2004016224-A2 ANTISENSE MODULATION OF VEGF CO-REGULATED CHEMOKINE-1 EXPRESSION PHARMACIA CORPORATION (US) 2004-02-26 WO disclosed
US-20040014050-A1 Antisense modulation of EDG8 expression ISIS PHARMACEUTICALS INC. 2004-01-22 US disclosed
WO-2004005554-A2 ANTISENSE MODULATION OF LIVIN EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2004-01-15 WO disclosed