SCHEMBL5596597

SCHEMBL5596597

C/C=C(/C)C(=O)OC/C=C(\C)CCC=C(C)C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
ALOX15 P16050 1/20 0.69
TRPV1 Q8NER1 3/20 0.52
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
PGGT1B P53609 1/20 0.52
KMT2A Q03164 1/20 0.48

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
SCHEMBL874195 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL874196 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL18604017 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL1793466 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL5869130 0.98 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL29165442 0.98 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL8662149 0.89 ALDH1A1 (0.79) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL14844960 0.89 ALDH1A1 (0.79) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL8662151 0.89 ALDH1A1 (0.79) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL30136431 0.89 ALDH1A1 (0.55) ALDH1A1ALOX15TRPV1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007093788-A1 USE OF ANTIMICROBIAL COMPOSITIONS AND NOVEL METHODS FOR THE DELIVERY OF SUCH COMPOSTIONS SCENT TECHNOLOGIES LIMITED (GB) 2007-08-23 WO disclosed
EP-0112394-B1 PROCESS FOR PREPARING ANGELIC ACID OR ITS ESTER TORAY INDUSTRIES, INC. (JP) 1989-11-02 EP disclosed
US-4613680-A ISOMERIZATION TORAY INDUSTRIES, INC. (JP) 1986-09-23 US disclosed
EP-0112394-A1 PROCESS FOR PREPARING ANGELIC ACID OR ITS ESTER TORAY INDUSTRIES, INC. (JP) 1984-07-04 EP disclosed