SCHEMBL7630656

SCHEMBL7630656

CCC(CC)Cn1sc2ccccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.68
FAAH O00519 2/20 0.57
MGLL Q99685 2/20 0.57
KAT2A Q92830 2/20 0.51
KAT2B Q92831 2/20 0.51
G6PD P11413 1/20 0.50

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
SCHEMBL6550877 0.89 FAAH (0.60) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL29679134 0.83 CASP3 (0.67) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL1123439 0.83 CASP3 (0.67) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL29678965 0.81 CASP3 (1.00) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL3143600 0.81 CASP3 (1.00) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11130291 0.81 CASP3 (0.63) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL358740 0.78 FAAH (0.77) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11278746 0.77 CASP3 (0.74) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL17948304 0.77 CASP3 (0.72) CASP3FAAHMGLLKAT2AKAT2B
Alcohol SCHEMBL28664257 0.77 CASP3 (0.72) CASP3FAAHMGLLKAT2AKAT2B

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 18 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-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
EP-0765331-B1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES AVECIA LTD (GB) 2000-08-09 EP disclosed
EP-0946097-A1 COMPOSITION AND USE ZENECA LIMITED (GB) 1999-10-06 EP disclosed
US-5880188-A PROTECTING MEDIUM SUSCEPTIBLE TO MICROBIAL ATTACK BY TREATING WITH SPECIFIED OXABOROLE COMPOUND ZENECA LIMITED (GB) 1999-03-09 US disclosed
WO-1998026665-A1 COMPOSITION AND USE ZENECA LIMITED (GB) 1998-06-25 WO disclosed
EP-0647133-A4 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY. AFFYMAX TECH NV (AN) 1997-10-29 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
EP-0765331-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1997-04-02 EP disclosed
US-5594018-A FUNGICIDES ZENECA LIMITED (GB) 1997-01-14 US disclosed
WO-1997000613-A1 COMPOSITION BIOCIDAL ZENECA LIMITED (GB) 1997-01-09 WO disclosed
WO-1995033754-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed
EP-0647133-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1995-04-12 EP disclosed
WO-1993025197-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1993-12-23 WO disclosed