SCHEMBL20195803

SCHEMBL20195803

C=CC(O)Oc1ccc(OCC2CCC(COC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.42
PARP10 Q53GL7 4/20 0.42
PARP2 Q9UGN5 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL816455 0.76 PARP15 (0.50) PARP15PARP10PARP2TDP1ACACB
SCHEMBL8673552 0.76 PARP15 (0.51) PARP15PARP10PARP2TDP1
SCHEMBL9280802 0.72 TDP1 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL9280800 0.72 TDP1 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL15514489 0.72 PARP15 (0.50) PARP15PARP10PARP2TDP1HPGD
SCHEMBL29024848 0.71 PARP15 (0.64) PARP15PARP10PARP2TDP1
SCHEMBL20195782 0.70 CYP2C9 (0.49)
SCHEMBL16838742 0.69 TDP1 (0.73) PARP15PARP10PARP2TDP1
SCHEMBL815952 0.69 THRB (0.52) PARP15PARP10PARP2TDP1ACACB
SCHEMBL30932889 0.69 PARP15 (0.51) PARP15PARP10PARP2TDP1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261201-B1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2018-05-30 EP disclosed