SCHEMBL1870463

SCHEMBL1870463

CCCC(=O)OCC=C(C)CCC=C(C)C.CCCC(=O)OCC=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 0.61
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
SCHEMBL560282 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL118465 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL901242 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL118466 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL3851450 0.98 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL31509097 0.98 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL3502483 0.98 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
Acetic Acid SCHEMBL27783657 0.97 ALDH1A1 (0.65) ALDH1A1ALOX15TRPV1FNTAFNTB
Butyric Acid SCHEMBL14763478 0.94 ALDH1A1 (0.61) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL22833273 0.91 ALDH1A1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed