SCHEMBL7031324

SCHEMBL7031324

BrCCCCCCCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TBXAS1 P24557 1/20 0.41
HTR2A P28223 3/20 0.40
MAOB P27338 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
SCHEMBL11503225 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL7026121 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL7613933 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL7613927 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL11503226 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL3031009 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL3320625 1.00 SIGMAR1 (0.43) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL1507325 0.98 SIGMAR1 (0.44) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL1507284 0.92 SIGMAR1 (0.46) SIGMAR1IDO1PAMHDAC1HDAC8
SCHEMBL4763785 0.92 SIGMAR1 (0.46) SIGMAR1IDO1PAMHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029847-B1 Process for producing hydroxyalkyl (meth)acrylates NIPPON CATALYTIC CHEM IND (JP) 2003-01-29 EP disclosed
US-6384267-B1 ESTERIFICATION OF (METH)ACRYLIC ACID WITH AN ALKYLENE OXIDE IN THE PRESENCE OF HEAT AND CHEMICAL RESISTANT ION EXCHANGE RESINS AS CATALYSTS NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-07 US disclosed
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
EP-1029847-A1 Process for producing hydroxyalkyl (meth)acrylates NIPPON SHOKUBAI CO., LTD. (JP) 2000-08-23 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
EP-0444643-B1 Anion exchanger MITSUBISHI CHEM CORP (JP) 1996-05-08 EP disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed
US-5350523-A For high temperature demineralization MITSUBISHI KASEI CORPORATION (JP) 1994-09-27 US disclosed
EP-0444643-A2 Anion exchanger Mitsubishi Chemical Corporation (JP) 1991-09-04 EP disclosed