SCHEMBL7461035

SCHEMBL7461035

CCCCC(C)=C(C)C(=O)N=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.43
CES2 O00748 5/20 0.42
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
AKR1B1 P15121 1/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
GPR84 Q9NQS5 4/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 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
SCHEMBL7461025 1.00 CES1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL1783003 0.77 CES1 (0.56) CES1CES2ALDH1A1TP53CA1
SCHEMBL1783000 0.77 CES1 (0.56) CES1CES2ALDH1A1TP53CA1
SCHEMBL1908244 0.75 FNTA (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL357799 0.75 FNTA (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL357800 0.75 FNTA (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL28779585 0.73 CES1 (0.46) CES1CES2ALDH1A1TP53CA1
SCHEMBL12259924 0.73 CES1 (0.52) CES1CES2ALDH1A1TP53CA1
SCHEMBL19180522 0.70 CES2 (0.52) CES1CES2ALDH1A1THRBFNTA
SCHEMBL27802843 0.70 HSP90AA1 (0.43) CES1CES2ALDH1A1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611566-B1 Aqueous aerosol lacque for fixing hair OREAL (FR) 1997-05-07 EP claimed
EP-0611566-A1 Aqueous aerosol lacque for fixing hair L'OREAL (FR) 1994-08-24 EP claimed
EP-0635258-B1 Cosmetic compositions with improved fixing power OREAL (FR) 2002-05-15 EP disclosed
EP-0611566-B1 Aqueous aerosol lacque for fixing hair OREAL (FR) 1997-05-07 EP disclosed
WO-1995003029-A1 HAIR FIXING COSMETIC COMPOSITIONS WITH IMPROVED SETTING PROPERTIES L'OREAL (FR) 1995-02-02 WO disclosed
EP-0635258-A1 Cosmetic compositions with improved fixing power L'OREAL (FR) 1995-01-25 EP disclosed
EP-0611566-A1 Aqueous aerosol lacque for fixing hair L'OREAL (FR) 1994-08-24 EP disclosed