SCHEMBL10330871

SCHEMBL10330871

C=C(C)C(=O)OC(CC)CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2D6 P10635 1/20 0.35
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9743564 0.83 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25476904 0.81 ALDH1A1 (0.43) TSHRTHRBALDH1A1
SCHEMBL27856506 0.80 TSHR (0.35) TSHRTHRBALDH1A1
SCHEMBL25779943 0.80 MGAM (0.42) TSHRTHRBALDH1A1
SCHEMBL9743639 0.80 MEN1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9580312 0.79 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL28974805 0.79 CYP2D6 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL440616 0.78 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL14330828 0.78 LMNA (0.41) TSHRTHRBALDH1A1
SCHEMBL9744611 0.77 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183902-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2012-07-19 US disclosed