SCHEMBL7590787

SCHEMBL7590787

CCCCCOC1CCCCC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
PRKCA P17252 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7595469 0.95 CYP1A2 (0.45) CYP1A2PRKCASIRT2KMT2AALDH1A1
SCHEMBL4867998 0.89 CYP1A2 (0.51) CYP1A2PRKCAKMT2AALDH1A1TDP1
SCHEMBL1983831 0.87 CYP1A2 (0.54) CYP1A2PRKCAALDH1A1TDP1
SCHEMBL1985465 0.87 CYP1A2 (0.54) CYP1A2PRKCAALDH1A1TDP1
SCHEMBL1989091 0.87 CYP1A2 (0.54) CYP1A2PRKCAALDH1A1TDP1
SCHEMBL8393422 0.87 CYP1A2 (0.54) CYP1A2PRKCAALDH1A1TDP1
SCHEMBL1986800 0.87 CYP1A2 (0.54) CYP1A2PRKCAALDH1A1TDP1
SCHEMBL1985106 0.83 CYP1A2 (0.49) CYP1A2PRKCAKMT2A
SCHEMBL292028 0.82 CA1 (0.36) CYP1A2KMT2A
SCHEMBL11583470 0.80 CA1 (0.35) CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888436-B2 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AG (DE) 2002-09-18 EP disclosed
US-6451753-B2 CYCLIC CARBAMATE, LACTONOXY OR LACTAM STRUCTURE AND/OR OXIME ESTERS AND INERT POROUS CARRIER OF GIVEN SURFACE AREA; STORAGE STABLE SOLID, FREE-FLOWING FORM BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-20020013245-A1 SOLID COMPOSITION CONSISTING OF HETEROCYCLIC COMPOUNDS AND/ OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS AND THE USE THEREOF AS STABLE BLEACH ACTIVATOR COMPONENT IN DETERGENTS, BLEACHES AND CLEANERS BASF AKTIENGESELLSCHAFT (DE) 2002-01-31 US disclosed
EP-0888436-B1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AG (DE) 2000-06-21 EP disclosed
EP-0826025-B1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AG (DE) 2000-03-01 EP disclosed
US-5972237-A USED AS COLD BLEACH ACTIVATORS OR OPTICAL BRIGHTENERS IN DETERGENTS, CLEANERS AND BLEACHES AND IN DISINFECTANTS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed
EP-0888436-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
EP-0826025-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-04 EP disclosed
WO-1997033964-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
WO-1996036686-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-11-21 WO disclosed