SCHEMBL5086474

SCHEMBL5086474

CCCCC(CC)CCCCCCCCCCCCCCC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.58
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 2/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 3/20 0.48
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
PAOX Q6QHF9 1/20 0.43
LMNA P02545 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41

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
SCHEMBL7152069 0.96 CA2 (0.53) CA2TSHRTDP1CYP3A4ATM
SCHEMBL9700954 0.96 CA2 (0.53) CA2TSHRTDP1CYP3A4ATM
SCHEMBL6677823 0.92 CA2 (0.48) CA2TSHRTDP1CYP3A4ATM
SCHEMBL5068644 0.90 PAOX (0.48) CA2TSHRTDP1CYP3A4ATM
SCHEMBL14899675 0.90 TSHR (0.48) CA2TSHRTDP1CYP3A4ATM
SCHEMBL15709916 0.88 CA2 (0.58) CA2TSHRTDP1CYP3A4ATM
SCHEMBL11348763 0.88 CA2 (0.58) CA2TSHRTDP1CYP3A4ATM
SCHEMBL5470163 0.88 CA2 (0.68) CA2TSHRTDP1CYP3A4ATM
SCHEMBL16023959 0.88 LMNA (0.52) TSHRTDP1ALDH1A1FFAR4FFAR1
SCHEMBL20838315 0.87 TSHR (0.46) CA2TSHRTDP1CYP3A4ATM

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
EP-2986973-B1 TEST CONTAINER FOR TESTING INSPECTION DEVICES KRONES AG (DE) 2017-08-02 EP claimed
EP-1585741-B1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL NV (NL) 2008-10-01 EP claimed
EP-0888446-B1 TOILET BOWL DETERGENT SYSTEM CONTAINING BLOOMING PERFUME PROCTER & GAMBLE (US) 2003-10-15 EP claimed
EP-0821725-B1 COLD CLEANING COMPOSITION BASED ON ALKANES OR CYCLOALKANES AND AN ORGANIC COMPOUND COMPRISING A KETONE GROUP ATOCHEM ELF SA (FR) 2000-03-01 EP claimed
EP-0630958-B1 Fuel additives CHEMADD LTD (GB) 1999-04-21 EP claimed
EP-0885952-A1 Cleaning and degreasing composition without flash point ELF ATOCHEM S.A. (FR) 1998-12-23 EP claimed
EP-0821725-A1 COLD CLEANING COMPOSITION BASED ON ALKANES OR CYCLOALKANES AND AN ORGANIC COMPOUND COMPRISING A KETONE GROUP ELF ATOCHEM S.A. (FR) 1998-02-04 EP claimed
WO-1996033261-A1 COLD CLEANING COMPOSITION BASED ON ALKANES OR CYCLOALKANES AND AN ORGANIC COMPOUND COMPRISING A KETONE GROUP ELF ATOCHEM S.A. (FR) 1996-10-24 WO claimed
EP-0456107-B1 Process for the enzymatic reduction of oxo-compounds, especially acetophenone and the enzyme therefor FORSCHUNGSZENTRUM JUELICH GMBH (DE) 1996-01-17 EP claimed
EP-0479877-B1 METHOD OF PREPARING N-ALKYL-HALOANILINES HOECHST AG (DE) 1994-10-12 EP claimed
EP-0251921-B1 PARTIALLY ESTERIFIED ACRYLIC POLYMERS AND THEIR USES, ESPECIALLY IN THE MANUFACTURE OF COATINGS BASF Peintures + Encres S.A. (FR) 1991-01-09 EP claimed
EP-0040288-B1 COATING, IMPREGNATING AND ADHESIVE COMPOSITIONS ROHM AND HAAS COMPANY (US) 1984-11-14 EP claimed
EP-3353237-B1 SOLVENT SYSTEM COMPRISING A MIXTURE OF DIMETHYL SULFOXIDE AND AT LEAST ONE LACTONE ARKEMA FRANCE (FR) 2024-05-08 EP disclosed
EP-3353237-A1 SOLVENT SYSTEM COMPRISING A MIXTURE OF DIMETHYL SULFOXIDE AND AT LEAST ONE LACTONE Arkema France (FR) 2018-08-01 EP disclosed
WO-2017051107-A1 SOLVENT SYSTEM COMPRISING A MIXTURE OF DIMETHYL SULFOXIDE AND AT LEAST ONE LACTONE ARKEMA FRANCE (FR) 2017-03-30 WO disclosed
EP-0821725-B1 COLD CLEANING COMPOSITION BASED ON ALKANES OR CYCLOALKANES AND AN ORGANIC COMPOUND COMPRISING A KETONE GROUP ATOCHEM ELF SA (FR) 2000-03-01 EP disclosed
EP-0328466-A1 Emulsifiable concentrates of biocidal materials, aqueous microemulsions obtained and use of these microemulsions in the treatment of wood XYLOCHIMIE (FR) 1989-08-16 EP disclosed
EP-0251921-A1 Partially esterified acrylic polymers and their uses, especially in the manufacture of coatings BASF Peintures + Encres S.A. (FR) 1988-01-07 EP disclosed
EP-0057153-B1 BIOCIDAL SUBSTANCES CONTAINING EMULSIFIABLE CONCENTRATES, AQUEOUS EMULSIONS OBTAINED THEREFROM AND UTILIZATION THEREOF FOR TREATING WOOD XYLOCHIMIE (FR) 1986-04-30 EP disclosed
EP-0057153-A2 Biocidal substances containing emulsifiable concentrates, aqueous emulsions obtained therefrom and utilization thereof for treating wood XYLOCHIMIE (FR) 1982-08-04 EP disclosed