SCHEMBL6760194

SCHEMBL6760194

CCC(=C(C)C(=O)O)C(C)CC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL6761901 1.00 FFAR3 (0.33) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL7086667 0.92
SCHEMBL7086670 0.92
SCHEMBL13372796 0.79 TP53 (0.39) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL6767073 0.76 THRB (0.34) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL6767072 0.76 THRB (0.34) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL3880967 0.76 THRB (0.34) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL28938972 0.76 THRB (0.34) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL16697957 0.76 GRIK1 (0.38) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL15121793 0.74 THRB (0.34) FFAR3ALDH1A1TDP1THRBFNTA

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
US-6723313-B2 FRAGRANCE, AN AROMA, OR A FLAVORING AGENT FOR PERFUMES, DETERGENTS, SOAPS, CREAMS, SHAMPOOS, HAIR CONDITIONERS, FOODS GIVAUDAN SA (CH) 2004-04-20 US disclosed
EP-1149820-B1 2-,5-,6-,7-,8-substituted oct-2-ene-4-one GIVAUDAN SA (CH) 2003-07-30 EP disclosed
US-20020176838-A1 2-,5-,6-,7-,8-substituted oct-2-en-4-ones GIVAUDAN SA 2002-11-28 US disclosed
EP-1149820-A1 2-,5-,6-,7-,8-substituted oct-2-ene-4-one Givaudan SA (CH) 2001-10-31 EP disclosed