SCHEMBL11523169

SCHEMBL11523169

OC/C1=C(C2=C\CCCCCC\2)/CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
ACMSD Q8TDX5 1/20 0.32
PTGS2 P35354 1/20 0.30
TYMP P19971 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11523177 1.00 FFAR4 (0.43) FFAR4ACMSDPTGS2TYMPTDP1
SCHEMBL9028569 0.94 FFAR4 (0.41) FFAR4ACMSD
SCHEMBL9419073 0.85 FFAR4 (0.40) FFAR4PTGS2TYMPTDP1
SCHEMBL7710966 0.74 ACMSD (0.38) FFAR4ACMSDTYMPTDP1
SCHEMBL1704887 0.73 FFAR4 (0.41) FFAR4PTGS2
SCHEMBL900163 0.72 HDAC1 (0.32) FFAR4
SCHEMBL9615753 0.72 HDAC1 (0.32) FFAR4
SCHEMBL18244171 0.71 TYMP (0.41) ACMSDPTGS2TYMPTDP1
SCHEMBL2105114 0.71 TYMP (0.41) ACMSDPTGS2TYMPTDP1
SCHEMBL11201526 0.71 TYMP (0.41) ACMSDPTGS2TYMPTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167947-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of smoking compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-18 US disclosed
US-4167947-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of smoking compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-18 US disclosed
US-4167947-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of smoking compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-18 US disclosed
US-4166916-A ENHANCES ORGANOLEPTIC PROPERTIES OF TOBACCOS AND PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-04 US disclosed
US-4166916-A ENHANCES ORGANOLEPTIC PROPERTIES OF TOBACCOS AND PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-04 US disclosed
US-4166916-A ENHANCES ORGANOLEPTIC PROPERTIES OF TOBACCOS AND PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-04 US disclosed
US-4163737-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of tobaccos, perfumes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-08-07 US disclosed
US-4163737-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of tobaccos, perfumes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-08-07 US disclosed
US-4163737-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of tobaccos, perfumes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-08-07 US disclosed
US-4139484-A SOAPS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-02-13 US disclosed
US-4139484-A SOAPS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-02-13 US disclosed
US-4128729-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-12-05 US disclosed