SCHEMBL6072534

SCHEMBL6072534

CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)c1ccccc1OCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.56
ALOX15 P16050 7/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL15228416 0.94 TRPV1 (0.55) TRPV1ALOX15ALDH1A1
SCHEMBL15702174 0.90 PTGES (0.54) TRPV1ALOX15
SCHEMBL10798025 0.89 TRPV1 (0.55) TRPV1ALOX15ALDH1A1
SCHEMBL10800687 0.89 TRPV1 (0.55) TRPV1ALOX15ALDH1A1
SCHEMBL8575338 0.89 MAOB (0.53) TRPV1ALOX15
SCHEMBL8575335 0.89 MAOB (0.53) TRPV1ALOX15
SCHEMBL4957845 0.88 TRPV1 (0.66) TRPV1ALOX15ALDH1A1
SCHEMBL10429519 0.88 TRPV1 (0.56) TRPV1ALOX15ALDH1A1
SCHEMBL15756532 0.87 ICMT (0.58) TRPV1ALOX15
SCHEMBL15701327 0.87 ALOX15 (0.50) TRPV1ALOX15

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-2006083666-A1 ANTI-INFLAMMATORY SUPPLEMENT COMPOSITIONS AND REGIMENS TO REDUCE CARDIOVASCULAR DISEASE RISKS A.M. TODD COMPANY (US) 2006-08-10 WO disclosed