SCHEMBL12588685

SCHEMBL12588685

C=CC=COCCCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
THRB P10828 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
LTA4H P09960 2/20 0.42

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
SCHEMBL12588682 0.91 THRB (0.49) KCNA3THRBHDAC3HDAC4HDAC1
SCHEMBL2468780 0.81 KCNA3 (0.60) KCNA3THRBHDAC3HDAC4HDAC1
SCHEMBL9353618 0.76 KCNA3 (0.64) KCNA3THRBHDAC3HDAC4HDAC1
SCHEMBL1025 0.76 KCNA3 (0.88) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL12588687 0.75 KCNA3 (0.47) KCNA3THRBHDAC3HDAC4HDAC1
SCHEMBL5145673 0.73 KCNA3 (0.60) KCNA3THRBHDAC3HDAC4HDAC1
SCHEMBL23584346 0.73 THRB (0.52) THRBALDH1A1KDM4EMEN1KMT2A
SCHEMBL11115136 0.71 KCNA3 (0.47) KCNA3THRBHDAC3HDAC4HDAC1
SCHEMBL2168294 0.71 THRB (0.51) KCNA3THRBHDAC3HDAC4HDAC1
Ethylene SCHEMBL28077131 0.71 KCNA3 (0.89) KCNA3HDAC3HDAC4HDAC1HDAC7

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-20110129636-A1 Block Copolymer Containing a Photoactive Monomer Bearing a Photoisomerizable Group, Use Thereof in a 3D Optical Memory ARKEMA FRANCE (FR) 2011-06-02 US disclosed