SCHEMBL4087831

SCHEMBL4087831

C=C(CCCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
TET2 Q6N021 1/20 0.38
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
TBXAS1 P24557 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
STING1 Q86WV6 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL4079989 0.88 TET2 (0.41) EPHX2TET2TSHRCYP2D6HDAC8
SCHEMBL9644895 0.85 EPHX2 (0.41) EPHX2TSHRCYP2D6HDAC8HDAC1
SCHEMBL4085984 0.84 TET2 (0.35) TET2TSHR
SCHEMBL1639757 0.83 TSHR (0.50) EPHX2TSHRCYP2D6HDAC8HDAC1
Hydrochloric Acid SCHEMBL7239543 0.81 TSHR (0.48) EPHX2TSHRCYP2D6HDAC8HDAC1
SCHEMBL645859 0.79 TSHR (0.58) TSHRMEN1KMT2ATDP1
SCHEMBL134923 0.79 EPHX2 (0.46) EPHX2TSHRCYP2D6HDAC8HDAC1
SCHEMBL8167312 0.78 EPHX2 (0.42) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL4838871 0.78 TET2 (0.42) TET2CYP2D6HDAC8HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL27537263 0.78 TSHR (0.56) TSHRMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843220-B1 Radiation sensitive resin composition JSR CORP (JP) 2003-02-19 EP claimed
US-7494759-B2 Positive resist compositions and process for the formation of resist patterns with the same TOKYO OHKA KOGYO CO., LTD. (JP) 2009-02-24 US disclosed
US-20070224538-A1 Positive Resist Compositions and Process for the Formation of Resist Patterns With the Same TOKYO OHKA KOGYO CO., LTD. (JP) 2007-09-27 US disclosed