SCHEMBL623449

SCHEMBL623449

CC(=O)C1(C)CC=C(CC(C)C)CC1C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7706265 0.75 MEN1 (0.50) ALDH1A1
SCHEMBL10356894 0.75 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL621712 0.75
SCHEMBL623388 0.74
SCHEMBL7173626 0.71 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL29510312 0.64 MEN1 (0.43) ALDH1A1TDP1
SCHEMBL5320627 0.63
SCHEMBL13093831 0.63
SCHEMBL13185574 0.62 FFAR3 (0.36)
SCHEMBL10794419 0.61 KDM4E (0.36) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999914-B2 Cyclohexene- and cyclopropanated cyclohexene- derivatives as fragrances GIVAUDAN S.A. (CH) 2015-04-07 US claimed
EP-2603483-B1 CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE- DERIVATIVES AS FRAGRANCES GIVAUDAN SA (CH) 2015-02-25 EP claimed
US-20130303433-A1 Cyclohexene- And Cyclopropanated Cyclohexene- Derivatives As Fragrances GIVAUDAN S.A. (CH) 2013-11-14 US claimed
EP-2603483-A1 CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES Givaudan SA (CH) 2013-06-19 EP claimed
WO-2012020076-A1 CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES GIVAUDAN SA (CH) 2012-02-16 WO claimed
US-8999914-B2 Cyclohexene- and cyclopropanated cyclohexene- derivatives as fragrances GIVAUDAN S.A. (CH) 2015-04-07 US disclosed
EP-2603483-B1 CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE- DERIVATIVES AS FRAGRANCES GIVAUDAN SA (CH) 2015-02-25 EP disclosed
US-20130303433-A1 Cyclohexene- And Cyclopropanated Cyclohexene- Derivatives As Fragrances GIVAUDAN S.A. (CH) 2013-11-14 US disclosed
EP-2603483-A1 CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES Givaudan SA (CH) 2013-06-19 EP disclosed
WO-2012020076-A1 CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES GIVAUDAN SA (CH) 2012-02-16 WO disclosed