SCHEMBL3213370

SCHEMBL3213370

c1ccc(C(=C(c2ccccc2)c2nc3ccccc3o2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
GAA P10253 3/20 0.46
FAAH O00519 2/20 0.46
CES1 P23141 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SCD O00767 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL250149 0.98 XDH (0.52) XDHRAB9ANPC1GAAFAAH
SCHEMBL29610262 0.98 XDH (0.52) XDHRAB9ANPC1GAAFAAH
SCHEMBL28082044 0.96 XDH (0.51) XDHRAB9ANPC1GAAFAAH
SCHEMBL6688216 0.84 XDH (0.51) XDHRAB9ANPC1GAAFAAH
SCHEMBL12545534 0.80 XDH (0.50) XDHRAB9ANPC1GAAFAAH
SCHEMBL27909818 0.80 SCD (0.57) XDHRAB9ANPC1GAAFAAH
SCHEMBL8032979 0.79 XDH (0.54) XDHRAB9ANPC1GAAFAAH
SCHEMBL447888 0.78 XDH (0.58) XDHRAB9ANPC1GAAHPGD
SCHEMBL31032654 0.78 XDH (0.58) XDHRAB9ANPC1GAAHPGD
SCHEMBL1590095 0.77 FAAH (0.55) XDHRAB9ANPC1GAAFAAH

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4206072-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1980-06-03 US claimed
US-20100234261-A1 DYE CLEANER, AND METHOD FOR CLEANING COLORANT DELIVERY SYSTEMS STINSON KELLY 2010-09-16 US disclosed
US-20060014869-A1 Dye cleaner, and method for cleaning colorant delivery systems LANXESS CORPORATION 2006-01-19 US disclosed
US-5922851-A FOR CELLULOSE FIBERS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-13 US disclosed
EP-0713882-B1 Phosphonomethylated chitosans CIBA GEIGY AG (CH) 1998-12-30 EP disclosed
US-5777091-A SEQUESTERING AGENTS FOR LIQUID BLEACHES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-07-07 US disclosed
EP-0713882-A1 Phosphonomethylated chitosans CIBA-GEIGY AG (CH) 1996-05-29 EP disclosed
EP-0210132-B2 AQUEOUS, ALKALINE, SILICATE-CONTAINING COMPOSITION FOR THE BLEACHING OF CELLULOSIC FIBRES IN THE PRESENCE OF PERCOMPOUNDS CIBA-GEIGY AG (CH) 1993-04-07 EP disclosed
EP-0210132-B1 AQUEOUS, ALKALINE, SILICATE-CONTAINING COMPOSITION FOR THE BLEACHING OF CELLULOSIC FIBRES IN THE PRESENCE OF PERCOMPOUNDS CIBA-GEIGY AG (CH) 1989-12-27 EP disclosed
EP-0210952-B1 AQUEOUS, ALKALINE, SILICATE-CONTAINING COMPOSITION FOR THE BLEACHING OF CELLULOSIC FIBRES IN THE PRESENCE OF PERCOMPOUNDS CIBA-GEIGY AG (CH) 1989-08-23 EP disclosed
EP-0082823-B1 PROCESS FOR BLEACHING FIBROUS MATERIALS WITH OLIGOMERS OF PHOSPHONIC ACIDS AS STABILIZING AGENTS IN ALCALINE, PEROXIDE-CONTAINING BLEACHING BATHS CIBA-GEIGY AG (CH) 1986-09-03 EP disclosed
US-4515597-A Magnesium complexes of oligomeric phosphonic acid esters, a process for their preparation and their use as stabilizers in alkaline, peroxide-containing bleach liquors CIBA GEIGY CORPORATION (US) 1985-05-07 US disclosed
US-4496472-A Process for bleaching cellulosic fibre materials using oligomers of phosphonic acid esters as stabilizers in alkaline, peroxide-containing bleaching liquors CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
EP-0112801-A1 Magnesium complexes of oligomeric phosphonic-acid esters, process for their preparation and their use as stabilizers in bleaching baths containing alcaline peroxide CIBA-GEIGY AG (CH) 1984-07-04 EP disclosed
EP-0082823-A1 Process for bleaching fibrous materials with oligomers of phosphonic acids as stabilizing agents in alcaline, peroxide-containing bleaching baths CIBA-GEIGY AG (CH) 1983-06-29 EP disclosed
US-4208513-A Benzoxazolyl-phenylstilbenes, processes for producing them, and their use as optical brighteners CIBA-GEIGY CORPORATION (US) 1980-06-17 US disclosed
US-4206072-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1980-06-03 US disclosed
US-4206072-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1980-06-03 US disclosed
US-4206072-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1980-06-03 US disclosed
US-4200489-A Process for producing sized paper or cardboard with dyes or optical brighteners and epoxide-amine-polyamide reaction products CIBA-GEIGY CORPORATION (US) 1980-04-29 US disclosed