SCHEMBL9050941

SCHEMBL9050941

CC(C)=CCC/C(C)=C/COC(=O)C(Br)Br

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
ALOX15 P16050 1/20 0.69
FNTA P49354 3/20 0.55
FNTB P49356 3/20 0.55
TRPV1 Q8NER1 3/20 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
SCHEMBL1532475 0.84 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL397327 0.84 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL397326 0.84 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL14815392 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL31184576 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL3864697 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL9241222 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL6442870 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL6442863 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1
SCHEMBL12713313 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038528-A1 BETAINE ESTERS FOR DELIVERY OF ALCOHOLS THE PROCTER & GAMBLE COMPANY (US) 1996-12-05 WO disclosed