SCHEMBL6569765

SCHEMBL6569765

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
THRB P10828 1/20 0.44
PGGT1B P53609 1/20 0.44
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.38
ALDH1A1 P00352 3/20 0.35
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL28952711 0.86 FNTA (0.37) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL28175048 0.83 ALDH1A1 (0.43) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL16336735 0.78 CES1 (0.43) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL28174002 0.77 TSHR (0.49) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL28173991 0.77 TSHR (0.49) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL27855035 0.77 TSHR (0.49) FNTAFNTBTHRBPGGT1BALDH1A1
Hydrochloric Acid SCHEMBL23389058 0.77 CYP2C9 (0.34) ALDH1A1
SCHEMBL27580129 0.72 AKR1B1 (0.48) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL27837140 0.72 ALDH1A1 (0.39) FNTAFNTBTHRBPGGT1BCES1
Dodecane SCHEMBL7149854 0.71 EP300 (0.47) FNTAFNTBTHRBPGGT1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999243-B1 Alkoxysilane binders as additives in ink jet inks DU PONT (US) 2004-04-21 EP disclosed
US-6180690-B1 AQUEOUS INK JET INK COMPRISING AN AQUEOUS VEHICLE, A COLORANT, AND AN ALKOXYSILANE BINDER ADDITIVE, A BLOCK COPOLYMER PIGMENT DISPERSANT, EXCELLENT WATER AND SMEARFASTNESS AND PRINT QUALITY E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-30 US disclosed
EP-0999243-A1 Alkoxysilane binders as additives in ink jet inks E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-10 EP disclosed