SCHEMBL6677823

SCHEMBL6677823

CCCC(CC)CCCCCCCCCCCCCCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PAOX Q6QHF9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.39
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37

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
SCHEMBL9700954 0.92 CA2 (0.53) CA2CYP3A4TSHRATMTDP1
SCHEMBL5086474 0.92 CA2 (0.58) CA2CYP3A4TSHRATMTDP1
SCHEMBL7152069 0.92 CA2 (0.53) CA2CYP3A4TSHRATMTDP1
SCHEMBL20838316 0.92 CA2 (0.52) CA2CYP3A4TSHRATMTDP1
SCHEMBL5068644 0.90 PAOX (0.48) CA2CYP3A4TSHRATMTDP1
SCHEMBL15402211 0.88 FFAR4 (0.48) TSHRTDP1ALDH1A1FFAR4FFAR1
SCHEMBL20838315 0.87 TSHR (0.46) CA2CYP3A4TSHRATMTDP1
SCHEMBL30914727 0.86 FFAR4 (0.46) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL5878817 0.84 ALDH1A1 (0.61) TSHRTDP1ALDH1A1FFAR4FFAR1
SCHEMBL7085237 0.84 ALDH1A1 (0.61) TSHRTDP1ALDH1A1FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851298-B1 Use of a solvent mixture for roller coating a radiation sensitive composition CLARIANT FINANCE BVI LTD (VG) 2004-06-16 EP claimed
EP-0131804-B1 WATER-DISPERSIBLE COATING COMPOSITIONS AND PROCESS UNION CARBIDE CORPORATION (US) 1988-10-26 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 disclosed
EP-0885952-A1 Cleaning and degreasing composition without flash point ELF ATOCHEM S.A. (FR) 1998-12-23 EP disclosed
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 disclosed
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 disclosed