SCHEMBL1685563

SCHEMBL1685563

C=C/C=C(/C)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CTSK P43235 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1685564 1.00 MGLL (0.36) MGLLCES2CES1CTSKHDAC8
SCHEMBL12087608 0.79 MGLL (0.31) MGLLCES2CES1
SCHEMBL4866385 0.76 CES2 (0.40) MGLLCES2CES1CTSKHDAC8
SCHEMBL4866380 0.76 CES2 (0.40) MGLLCES2CES1CTSKHDAC8
SCHEMBL4866389 0.76 CES2 (0.40) MGLLCES2CES1CTSKHDAC8
SCHEMBL21181910 0.74
SCHEMBL2352505 0.74 CES2 (0.41) MGLLCES2CES1CTSKHDAC8
SCHEMBL9876587 0.74 CES2 (0.41) MGLLCES2CES1CTSKHDAC8
SCHEMBL1288230 0.74 CES2 (0.41) MGLLCES2CES1CTSKHDAC8
SCHEMBL23606015 0.71 MGLL (0.36) MGLLCES2CES1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307468-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI (IT) 2012-06-13 EP claimed
EP-2307468-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS Pirelli Tyre S.P.A. (IT) 2011-04-13 EP claimed
WO-2010006655-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI TYRE S.P.A. (IT) 2010-01-21 WO claimed
EP-2307468-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS Pirelli Tyre S.P.A. (IT) 2011-04-13 EP disclosed
WO-2010006655-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI TYRE S.P.A. (IT) 2010-01-21 WO disclosed