SCHEMBL16628458

SCHEMBL16628458

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
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
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
THRB P10828 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL16628580 0.90 TSHR (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5057290 0.87 TSHR (0.49) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL16628571 0.82 TSHR (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL18140745 0.77 TSHR (0.47) TSHRTHRB
SCHEMBL9358566 0.77 TSHR (0.50) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL27867536 0.77 THRB (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL18139968 0.76 TSHR (0.49) TSHRHDAC3HDAC4HDAC1HDAC7
Ammonia Solution, Strong SCHEMBL28050132 0.76 THRB (0.46) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL16628507 0.75 TSHR (0.45) TSHRTHRBCA2
SCHEMBL18139067 0.75 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