SCHEMBL27745844

SCHEMBL27745844

C=CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ICMT O60725 2/20 0.52
ALB P02768 2/20 0.52
SOAT2 O75908 1/20 0.52
SOAT1 P35610 1/20 0.52
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
EGFR P00533 2/20 0.49

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
SCHEMBL9435656 0.89 CA12 (0.64) CA12CA1CA2CA9ICMT
SCHEMBL25276969 0.89 CA12 (0.64) CA12CA1CA2CA9ICMT
SCHEMBL10596306 0.88 CA12 (0.61) CA12CA1CA2CA9ICMT
SCHEMBL25272478 0.84 ICMT (0.59) CA12CA1CA2CA9ICMT
SCHEMBL2448810 0.83 HDAC6 (0.65) CA12CA1CA2CA9ICMT
SCHEMBL25277617 0.82 HDAC6 (0.57) CA12CA1CA2CA9ICMT
SCHEMBL14228915 0.81 HDAC6 (0.62) CA12CA1CA2CA9ICMT
SCHEMBL3482935 0.78 HDAC6 (0.60) CA12CA1CA2CA9ICMT
SCHEMBL28870363 0.78 SOAT2 (0.52) ICMTALBSOAT2SOAT1HDAC6
SCHEMBL9339111 0.78 ICMT (0.59) CA12CA1CA2CA9ICMT

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-101336167-B Polylactic acid resin multilayer sheet and molded body made of same TORAY INDUSTRIES 2012-07-18 CN disclosed
CN-101336167-A Polylactic acid resin multilayer sheet and molded body made of same TORAY INDUSTRIES (JP) 2008-12-31 CN disclosed