SCHEMBL28035152

SCHEMBL28035152

NN=Cc1ccccc1O.NN=Cc1ccccc1O.O=C(O)CCCCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.50
CA2 P00918 8/20 0.50
CA9 Q16790 7/20 0.50
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
CTRC Q99895 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 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
Sebacic Acid SCHEMBL27952310 1.00 CA12 (0.50) CA12CA2CA9KDM4EGAA
SCHEMBL27958072 0.87 KDM4E (0.54) CA12CA2CA9KDM4EGAA
SCHEMBL27592075 0.83 CA12 (0.76) CA12CA2CA9KDM4EGAA
SCHEMBL7814753 0.83 CA12 (0.76) CA12CA2CA9KDM4EGAA
SCHEMBL7814756 0.83 CA12 (0.76) CA12CA2CA9KDM4EGAA
SCHEMBL2316554 0.81 CA12 (0.59) CA12CA2CA9KDM4EGAA
SCHEMBL2317419 0.81 CA12 (0.59) CA12CA2CA9KDM4EGAA
SCHEMBL29615332 0.81 CA12 (0.59) CA12CA2CA9KDM4EGAA
SCHEMBL19451062 0.81 CA12 (0.59) CA12CA2CA9KDM4EGAA
Alcohol SCHEMBL28211826 0.76 CA12 (0.55) CA12CA2CA9KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103068881-B Polylactic-acid block copolymer TORAY INDUSTRIES, INC. (JP) 2015-11-25 CN disclosed
CN-103068880-B The manufacture method of polylactic-acid block copolymer TORAY INDUSTRIES, INC. (JP) 2015-11-25 CN disclosed