SCHEMBL11260074

SCHEMBL11260074

CC1CC(C)(C)C/C(=C/O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 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
SCHEMBL11260079 1.00 MAPT (0.32) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL11268392 0.73 ALDH1A1 (0.36) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL11268397 0.73 ALDH1A1 (0.36) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL3503955 0.73 ALDH1A1 (0.41) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL4599771 0.73 ALDH1A1 (0.41) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL108518 0.68
SCHEMBL21247206 0.68
SCHEMBL1666237 0.64 GAA (0.32)
SCHEMBL1567165 0.64 ALDH1A1 (0.35) MAPTKDM4EALDH1A1POLB
SCHEMBL20601970 0.64 RAB9A (0.51) MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313007-A ENHANCING ORGANOLEPTIC PROPERTIES OF TOBACCO GIVAUDAN CORPORATION (US) 1982-01-26 US claimed
EP-0007582-B1 COMPOSITIONS AND PROCESS FOR REINFORCING, MODIFYING OR IMPROVING THE ORGANOLEPTIC PROPERTIES OF TOBACCO PRODUCTS AND COMPOUNDS USEFUL THEREFOR L. GIVAUDAN & CIE Société Anonyme (CH) 1981-11-25 EP claimed
EP-0007582-A2 Compositions and process for reinforcing, modifying or improving the organoleptic properties of tobacco products and compounds useful therefor L. GIVAUDAN & CIE Société Anonyme (CH) 1980-02-06 EP claimed
US-4183363-A Tobacco compositions flavored with 2-hydroxymethylenecyclohexanones GIVAUDAN CORPORATION (US) 1980-01-15 US claimed
US-4313007-A ENHANCING ORGANOLEPTIC PROPERTIES OF TOBACCO GIVAUDAN CORPORATION (US) 1982-01-26 US disclosed
EP-0007582-B1 COMPOSITIONS AND PROCESS FOR REINFORCING, MODIFYING OR IMPROVING THE ORGANOLEPTIC PROPERTIES OF TOBACCO PRODUCTS AND COMPOUNDS USEFUL THEREFOR L. GIVAUDAN & CIE Société Anonyme (CH) 1981-11-25 EP disclosed
EP-0007582-A2 Compositions and process for reinforcing, modifying or improving the organoleptic properties of tobacco products and compounds useful therefor L. GIVAUDAN & CIE Société Anonyme (CH) 1980-02-06 EP disclosed
US-4183363-A Tobacco compositions flavored with 2-hydroxymethylenecyclohexanones GIVAUDAN CORPORATION (US) 1980-01-15 US disclosed