SCHEMBL11523172

SCHEMBL11523172

OC(C1=CCCCCCC1)C1=CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HIF1A Q16665 1/20 0.32
IDO1 P14902 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL9028549 0.95 MAPK14 (0.37) MAPK14HDAC4HDAC2HDAC8HDAC6
SCHEMBL5706630 0.82
SCHEMBL11179280 0.81 SMN1; SMN2 (0.33) MAPK14HDAC4HDAC2HDAC8HDAC6
SCHEMBL11179288 0.81 SMN1; SMN2 (0.33) MAPK14HDAC4HDAC2HDAC8HDAC6
SCHEMBL11179284 0.81 SMN1; SMN2 (0.33) MAPK14HDAC4HDAC2HDAC8HDAC6
SCHEMBL919289 0.79 KDM1A (0.33) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL4365354 0.79 KDM1A (0.33) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL10883123 0.78 HDAC4 (0.33) HDAC4HDAC2HDAC8HDAC6IDO1
SCHEMBL14434894 0.78
SCHEMBL3317982 0.78

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