SCHEMBL7793713

SCHEMBL7793713

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL22193457 0.79 TSHR (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22193459 0.79 TSHR (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7792822 0.79 TSHR (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2464293 0.76 ALDH1A1 (0.40)
SCHEMBL8654022 0.75 TSHR (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8666347 0.75 TSHR (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7793715 0.74 TSHR (0.40) POLBNLRP3HDAC3HDAC4HDAC1
SCHEMBL22193460 0.74 TSHR (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL649529 0.73 TSHR (0.45)
SCHEMBL6886176 0.73 THRB (0.41) POLBNLRP3HDAC3HDAC4HDAC1

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-0710475-B1 High refractive index and/or radio-opaque resins systems ABONETICS LTD (GB) 2001-11-21 EP disclosed
US-5679710-A DENTAL COMPOSITES LONDON HOSPITAL MEDICAL COLLEGE (GB) 1997-10-21 US disclosed
EP-0710475-A1 High refractive index and/or radio-opaque resins systems THE LONDON HOSPITAL MEDICAL COLLEGE (GB) 1996-05-08 EP disclosed