SCHEMBL8006103

SCHEMBL8006103

O=S(=O)(c1cccc(CCCCCCO)c1)c1cccc(CCCCCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
CA2 P00918 3/20 0.51
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
MGLL Q99685 1/20 0.46
TBXA2R P21731 1/20 0.46
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL5277396 0.85 CA2 (0.65) HTR6CA2CYP4F2CYP4A11TBXA2R
SCHEMBL5429891 0.85 CYP4F2 (0.51) HTR6CA2CYP4F2CYP4A11MGLL
SCHEMBL11266570 0.83 LPL (0.57) HTR6CA2LPLLIPG
SCHEMBL11828390 0.83 LPL (0.57) HTR6CA2LPLLIPG
SCHEMBL11426304 0.83 LPL (0.57) HTR6CA2LPLLIPG
SCHEMBL2176833 0.81 CYP4F2 (0.56) CA2CYP4F2CYP4A11MGLLTBXA2R
SCHEMBL6444977 0.81 LPL (0.56) HTR6CA2LPLLIPG
SCHEMBL5662465 0.79 TBXA2R (0.49) HTR6CA2CYP4F2CYP4A11MGLL
SCHEMBL5436203 0.79 CA2 (0.64) HTR6CA2CYP4F2CYP4A11TBXA2R
SCHEMBL238401 0.79 CYP4F2 (0.58) CA2CYP4F2CYP4A11MGLLTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133274-A TREATING DISEASE MEDIATED BY INTRACELLULAR SIGNALING THROUGH ONE OR TWO SPECIFIC INTRACELLULAR SIGNALING PATHWAYS; A XANTHINYL HAVING AT LEAST ONE NITROGEN SUBSTITUTED BY AN HYDROXYALKYL; ANTITUMOR,-CARCINOGENIC,-ARTHRITIC AGENTS CELL THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
US-5780476-A ADMINISTERING TO TREAT INFLAMMATORY DISEASE AND RHEUMATOID ARTHITIS CELL THERAPEUTICS, INC. (US) 1998-07-14 US disclosed
EP-0669825-A4 HYDROXYL-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-03 EP disclosed
EP-0669825-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-09-06 EP disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 WO disclosed