SCHEMBL5583994

SCHEMBL5583994

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C(O)C2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.50
DNPH1 O43598 1/20 0.47
P2RY6 Q15077 4/20 0.46
PYGM P11217 3/20 0.45
TYMP P19971 2/20 0.45
P2RY14 Q15391 1/20 0.45

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
SCHEMBL11880551 1.00 P2RY2 (0.50) P2RY2DNPH1P2RY6PYGMTYMP
SCHEMBL8673051 0.91 P2RY6 (0.56) P2RY2DNPH1P2RY6PYGMP2RY14
SCHEMBL8038838 0.91 P2RY6 (0.56) P2RY2DNPH1P2RY6PYGMP2RY14
SCHEMBL2784568 0.86 SLC28A1 (0.58) P2RY2P2RY6P2RY14
SCHEMBL2784571 0.86 SLC28A1 (0.58) P2RY2P2RY6P2RY14
SCHEMBL2786473 0.83 TYMS (0.60)
SCHEMBL11876295 0.83 TYMS (0.60)
SCHEMBL11881949 0.83 TYMS (0.60)
SCHEMBL766555 0.83 TYMS (0.60)
SCHEMBL11876308 0.83 TYMS (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
EP-0256400-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-09-23 EP disclosed
EP-0256400-A2 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-02-24 EP disclosed