SCHEMBL8920104

SCHEMBL8920104

Cc1ccc(S(=O)(=O)OS(c2ccc(OC(C)(C)C)cc2)(c2ccc(OC(C)(C)C)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
KMT2A Q03164 3/20 0.38
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 1/20 0.35
VDR P11473 1/20 0.33
CYP19A1 P11511 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
SCHEMBL64770 0.89 HTT (0.45) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL65270 0.89 HTT (0.45) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL64968 0.89 BCHE (0.43) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL8496289 0.89 BCHE (0.43) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL8903648 0.89 FFAR4 (0.41) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL8077093 0.88 HTT (0.40) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL8078746 0.87 HTT (0.41) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL6757964 0.87 HTT (0.41) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL6140862 0.87 CA12 (0.38) HTTTDP1L3MBTL1BCHEACHE
SCHEMBL6140141 0.87 CA12 (0.38) HTTTDP1L3MBTL1BCHEACHE

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
US-5624787-A NITROGENOUS COMPOUND AND SULFONIUM COMPOUND FOR POSITIVE PHOTORESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US claimed
US-5624787-A NITROGENOUS COMPOUND AND SULFONIUM COMPOUND FOR POSITIVE PHOTORESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed