SCHEMBL4654653

SCHEMBL4654653

CCCCCCCCS(=O)(=O)O.COc1ccc(-c2ccccc2I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MPI P34949 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7576463 0.90 HDAC4 (0.44) HDAC4HDAC2HDAC8LTB4R2ALDH1A1
SCHEMBL7582846 0.87 HDAC4 (0.49) HDAC4HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL7574616 0.81 HDAC4 (0.51) HDAC4HDAC2HDAC8KDM4EMEN1
SCHEMBL4654701 0.81 ASAH2 (0.45) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL28746182 0.79 ALDH1A1 (0.39) LTB4R2ALDH1A1MEN1MAPTKMT2A
Phenylmethanesulfonic Acid SCHEMBL8382761 0.77 RARB (0.46) ALDH1A1TP53PTPN1
SCHEMBL4655793 0.77 HDAC4 (0.47) HDAC4HDAC2HDAC8MEN1NPC1
Trifluoromethanesulfonic Acid SCHEMBL387254 0.77 HDAC4 (0.47) HDAC4HDAC2HDAC8ALDH1A1MEN1
Fluoride SCHEMBL27459357 0.77 TRPV1 (0.37) HDAC2HDAC8LTB4R2ALDH1A1MEN1
SCHEMBL145569 0.77 ABL1 (0.60) HDAC4HDAC2HDAC8NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
US-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 EP disclosed