SCHEMBL10457239

SCHEMBL10457239

C=CCC1(C(C)=O)CCCC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11616629 0.80
SCHEMBL11501517 0.77
SCHEMBL10176446 0.77
SCHEMBL11599305 0.75 CETP (0.36)
SCHEMBL16151058 0.71 CYP2C19 (0.45) MEN1KMT2AALDH1A1POLB
SCHEMBL23539431 0.70 ALDH1A1 (0.31) MEN1KMT2AALDH1A1POLB
SCHEMBL11498095 0.67 CYP2C19 (0.40) MEN1KMT2AALDH1A1POLB
SCHEMBL11634222 0.67 CYP2C19 (0.50) MEN1KMT2AALDH1A1POLB
SCHEMBL27818466 0.67 CYP2C19 (0.41) ALDH1A1
SCHEMBL14108545 0.67 MEN1 (0.31) MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117015-A FLAVORS, FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-09-26 US claimed
US-4073751-A 1-Acetyl-3,3-dimethyl-(2-propenyl)cyclohexane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-14 US claimed
US-4021488-A FLAVORS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-03 US claimed
US-4933320-A USING ACID CATALYST INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-06-12 US disclosed
US-4735932-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-04-05 US disclosed
US-4735932-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-04-05 US disclosed
US-4117015-A FLAVORS, FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-09-26 US disclosed
US-4117015-A FLAVORS, FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-09-26 US disclosed
US-4102928-A REACTING AN ALLYLIC HALIDE WITH 1-ACETYL-3,3-DIMETHYL-CYCLOHEXANE IN THE PRESENCE OF A CROWN ETHER, POTASSIUM HYDROXIDE, AND TOLUENE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-07-25 US disclosed
US-4073751-A 1-Acetyl-3,3-dimethyl-(2-propenyl)cyclohexane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-14 US disclosed
US-4073751-A 1-Acetyl-3,3-dimethyl-(2-propenyl)cyclohexane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-14 US disclosed
US-4073751-A 1-Acetyl-3,3-dimethyl-(2-propenyl)cyclohexane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-14 US disclosed
US-4064281-A FRUIT FOODSTUFFS, MEDICINES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US disclosed
US-4064281-A FRUIT FOODSTUFFS, MEDICINES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US disclosed
US-4021488-A FLAVORS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-03 US disclosed
US-4021488-A FLAVORS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-03 US disclosed
US-4021488-A FLAVORS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-03 US disclosed