SCHEMBL8047466

SCHEMBL8047466

CCN(CCOc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.48
KCNA3 P22001 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
GBA1 P04062 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
Hydrochloric Acid SCHEMBL10620816 0.98 LTA4H (0.50) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10530995 0.93 LTA4H (0.63) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
Oxirane SCHEMBL11687767 0.92 LTA4H (0.45) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11674853 0.91 KCNA3 (0.52) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11677543 0.90 TSHR (0.47) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11677403 0.90 LSS (0.57) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10529326 0.90 TSHR (0.55) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11674918 0.90 LTA4H (0.49) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11688410 0.89 KCNA3 (0.55) LTA4HTSHRKCNA3
SCHEMBL11505280 0.89 LTA4H (0.44) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673977-B1 Water-insoluble monoazo dye DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-05-31 EP claimed
EP-0673977-A2 Water-insoluble monoazo dye DyStar Japan Ltd. (JP) 1995-09-27 EP claimed
JP-9087538-A None JP disclosed
EP-0673977-B1 Water-insoluble monoazo dye DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-05-31 EP disclosed
EP-0888405-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEROF BASF AG (DE) 2000-04-26 EP disclosed
US-6048370-A Monoazo dyes containing a fluorosulphonyl group and use thereof BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
EP-0888405-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997029155-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 1997-08-14 WO disclosed
JP-H0987538-A WATER-INSOLUBLE MONOAZO DYE AND ITS PRODUCTION DAISUTAA JAPAN KK 1997-03-31 JP disclosed
EP-0673977-A2 Water-insoluble monoazo dye DyStar Japan Ltd. (JP) 1995-09-27 EP disclosed
US-4898941-A Process for preparing diphenylalkene derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-02-06 US disclosed
EP-0257591-A2 Process for preparing diphenylalkene derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-03-02 EP disclosed
EP-0132920-A1 Monoazo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-13 EP disclosed
US-4394314-A Process of preparing aromatic aldehydes by reacting selected aromatic compounds with formamidine acetate and an organic acid anhydride E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-19 US disclosed
US-4392998-A One pot diazotization, coupling and quaternization of aminotriazoles BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
US-4289693-A TEXTILES SANDOZ LTD. (CH) 1981-09-15 US disclosed
US-4111930-A MONOAZO DYES HAVING AN ARYLOXYALKYL GROUP ON THE NITROGEN ATOM IN THE PARA POSITION OF A 1,4-PHENYLENE COUPLING COMPONENT RADICAL SANDOZ LTD. (CH) 1978-09-05 US disclosed
US-4101544-A Water soluble monoazo dyes for polyamide material AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-07-18 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed