SCHEMBL12588682

SCHEMBL12588682

C=CC=COCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
KCNA3 P22001 1/20 0.48
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RECQL P46063 1/20 0.44
PARP10 Q53GL7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1B P28222 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL12588685 0.91 KCNA3 (0.52) THRBKCNA3PKMALDH1A1TAAR1
SCHEMBL1127589 0.80 KCNA3 (0.56) THRBKCNA3PKMALDH1A1TAAR1
SCHEMBL23584346 0.80 THRB (0.52) THRBPKMALDH1A1PARP10KDM4E
SCHEMBL2168294 0.80 THRB (0.51) THRBKCNA3PKMALDH1A1TAAR1
SCHEMBL6322967 0.76 KCNA3 (0.50) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL21596579 0.76 KCNA3 (0.50) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL5832620 0.76 THRB (0.50) THRBKCNA3PKMALDH1A1TAAR1
Ethylene SCHEMBL29058163 0.75 KCNA3 (0.74) THRBKCNA3PKMALDH1A1TAAR1
SCHEMBL27962 0.74 KCNA3 (0.82) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL683380 0.74 LTA4H (0.56) THRBKCNA3PKMALDH1A1TAAR1

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