SCHEMBL16628580

SCHEMBL16628580

C=C(C)C(=O)OCC(COC(=O)C(=C)C)C(=O)OCCC(CCCCCCC)S(=O)(=O)O.[KH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
THRB P10828 1/20 0.33
PLA2G2C Q5R387 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
RECQL P46063 1/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
CA2 P00918 2/20 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
SCHEMBL16628458 0.90 TSHR (0.41) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5057261 0.79 TSHR (0.47) TSHRTHRBPLA2G2CRECQLTP53
SCHEMBL16628571 0.78 TSHR (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5057290 0.78 TSHR (0.49) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL18141307 0.75 TSHR (0.46) TSHRTHRB
SCHEMBL18139722 0.75 TSHR (0.46) TSHRTHRB
SCHEMBL27503881 0.74 TSHR (0.45) TSHRZDHHC7TP53CA2CA1
SCHEMBL16628507 0.74 TSHR (0.45) TSHRTHRBCA2
SCHEMBL9354641 0.74 TSHR (0.56) TSHRTHRBPLA2G2CRECQLCA2
SCHEMBL18140745 0.74 TSHR (0.47) TSHRTHRB

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
US-20150126682-A1 HYDROPHILIC MODIFIED ACRYLIC RESIN FILM MITSUI CHEMICALS, INC. (JP) 2015-05-07 US disclosed
EP-2860215-A1 MODIFIED HYDROPHILIC ACRYLIC RESIN FILM Mitsui Chemicals, Inc. (JP) 2015-04-15 EP disclosed