SCHEMBL20052300

SCHEMBL20052300

COc1ccc(Cc2ccc(OCC3CC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
LTA4H P09960 4/20 0.53
PARP15 Q460N3 2/20 0.47
PARP10 Q53GL7 2/20 0.47
PARP2 Q9UGN5 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 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
SCHEMBL16838742 0.91 TDP1 (0.73) TDP1PARP15PARP10PARP2DRD2
SCHEMBL16838743 0.87 TDP1 (0.69) TDP1PARP15PARP10PARP2
SCHEMBL17296955 0.86 PARP15 (0.47) TDP1LTA4HPARP15PARP10PARP2
SCHEMBL29024848 0.80 PARP15 (0.64) TDP1PARP15PARP10PARP2
SCHEMBL8273728 0.79 PARP15 (0.51) TDP1PARP15PARP10PARP2
SCHEMBL11962550 0.79 TDP1 (0.56) TDP1LTA4HPARP15PARP10PARP2
SCHEMBL15181005 0.79 TDP1 (0.59) TDP1PARP15PARP10PARP2DRD2
SCHEMBL20052301 0.79 TDP1 (0.59) TDP1PARP15PARP10PARP2DRD2
SCHEMBL9290007 0.79 PKM (0.66) TDP1LTA4HDRD4
SCHEMBL27884 0.78 LTA4H (0.81) LTA4H

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
US-9947480-B2 Electrolyte material formulation, electrolyte material composition formed therefrom and use thereof ETERNAL MATERIALS CO., LTD. (TW) 2018-04-17 US disclosed