SCHEMBL5140403

SCHEMBL5140403

COCCCN1CN(CCCOC)n2cc(C(=O)O)c(=O)c(O)c2C1=O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL17510159 0.88 HTT (0.34) HTT
SCHEMBL10442768 0.87 HTT (0.38) HTT
SCHEMBL5132938 0.86 POLB (0.41) HTT
SCHEMBL10442725 0.84
SCHEMBL2601280 0.83 ATM (0.37)
SCHEMBL2601251 0.83 HTT (0.37) HTT
SCHEMBL2600940 0.83 CHRM1 (0.38)
SCHEMBL20014654 0.80 HTT (0.46) HTTPARP1PARP2
SCHEMBL4154708 0.78
SCHEMBL2601001 0.78 LIPG (0.38)

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-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP disclosed