SCHEMBL7792783

SCHEMBL7792783

C=C(CCC(C)OC(=O)c1cc(I)cc(I)c1I)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL7792795 0.82 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7784276 0.79 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25475592 0.79 HDAC3 (0.34) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8925847 0.78
SCHEMBL21705280 0.77 HDAC3 (0.38) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1845592 0.77 ALDH1A1 (0.55) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7792785 0.75 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7792822 0.75 TSHR (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7792781 0.75 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25475598 0.72 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0710475-B1 High refractive index and/or radio-opaque resins systems ABONETICS LTD (GB) 2001-11-21 EP disclosed
EP-0710475-A1 High refractive index and/or radio-opaque resins systems THE LONDON HOSPITAL MEDICAL COLLEGE (GB) 1996-05-08 EP disclosed