SCHEMBL6550877

SCHEMBL6550877

CCCCC(CC)Cn1sc2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.60
MGLL Q99685 2/20 0.60
CASP3 P42574 6/20 0.57
KAT2A Q92830 2/20 0.46
KAT2B Q92831 2/20 0.46

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
SCHEMBL7630656 0.89 CASP3 (0.68) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL16601156 0.78 FAAH (0.88) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL29370720 0.78 FAAH (0.88) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL203818 0.78 FAAH (0.88) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL3147758 0.77 FAAH (0.97) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL29679134 0.76 CASP3 (0.67) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL1123439 0.76 CASP3 (0.67) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL24327898 0.76 FAAH (1.00) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL8621594 0.76 FAAH (1.00) FAAHMGLLCASP3KAT2AKAT2B
SCHEMBL8621525 0.76 FAAH (1.00) FAAHMGLLCASP3KAT2AKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688321-B1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LTD (GB) 1997-09-10 EP claimed
US-5594018-A FUNGICIDES ZENECA LIMITED (GB) 1997-01-14 US claimed
EP-0688321-A1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LTD (GB) 1995-12-27 EP claimed
WO-1994020479-A1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LIMITED (GB) 1994-09-15 WO claimed
US-6706855-B1 CATIONIC POLY(HEXAMETHYLENEBIGUANIDE) BOUND TO CHROMOPHORIC LABEL AVECIA LIMITED (GB) 2004-03-16 US disclosed
EP-1213967-B1 ANTIMICROBIAL POLYMER AVECIA LTD (GB) 2004-02-04 EP disclosed
EP-1213967-A1 ANTIMICROBIAL POLYMER Avecia Limited (GB) 2002-06-19 EP disclosed
US-6339081-B1 ANTIBACTERIAL ACTIVITY AVECIA LIMITED (GB) 2002-01-15 US disclosed
EP-0946097-B1 COMPOSITION AND USE AVECIA LTD (GB) 2001-05-02 EP disclosed
WO-2001017356-A1 ANTIMICROBIAL POLYMER AVECIA LIMITED (GB) 2001-03-15 WO disclosed
EP-0946097-A1 COMPOSITION AND USE ZENECA LIMITED (GB) 1999-10-06 EP disclosed
WO-1998026665-A1 COMPOSITION AND USE ZENECA LIMITED (GB) 1998-06-25 WO disclosed
EP-0688321-B1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LTD (GB) 1997-09-10 EP disclosed
EP-0688321-B1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LTD (GB) 1997-09-10 EP disclosed
WO-1997005182-A1 ANTI-MICROBIAL COATING COMPOSITIONS ZENECA LIMITED (GB) 1997-02-13 WO disclosed
US-5594018-A FUNGICIDES ZENECA LIMITED (GB) 1997-01-14 US disclosed
US-5594018-A FUNGICIDES ZENECA LIMITED (GB) 1997-01-14 US disclosed
EP-0688321-A1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LTD (GB) 1995-12-27 EP disclosed
WO-1994020479-A1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LIMITED (GB) 1994-09-15 WO disclosed