SCHEMBL5084572

SCHEMBL5084572

C=Cc1ccc(S(=O)(=O)OC2CCC(O)CC2)c(C2CCCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL5084598 0.82 PTGDR2 (0.43)
SCHEMBL3387062 0.77 TDP1 (0.40) HDAC3HDAC1HDAC2
SCHEMBL3387060 0.74 TDP1 (0.46)
SCHEMBL7070629 0.69 HDAC3 (0.40) HDAC3HDAC1HDAC2
SCHEMBL5691471 0.69 TDP1 (0.44) HDAC3HDAC1HDAC2
SCHEMBL27847188 0.69 PTGS2 (0.42)
SCHEMBL28560654 0.68 NUDT1 (0.50) HDAC3HDAC1HDAC2
SCHEMBL20211626 0.66 HDAC3 (0.38) HDAC3HDAC1HDAC2
SCHEMBL16684746 0.65 LMNA (0.42)
SCHEMBL3445796 0.64 CA1 (0.37)

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
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO claimed
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO disclosed