SCHEMBL6829967

SCHEMBL6829967

CC1=C(CC(=O)C(C)O)C(C)(C)CC=C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.31
MAOB P27338 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
SCHEMBL11515478 0.84
SCHEMBL1404286 0.79
SCHEMBL10460910 0.71 ALDH1A1 (0.34) MAOAMAOB
SCHEMBL5435984 0.70 MAOA (0.35) MAOAMAOB
SCHEMBL6688550 0.68 MAOA (0.35) MAOAMAOB
SCHEMBL31121665 0.68 MAOA (0.33) MAOAMAOB
SCHEMBL11391718 0.67 MAOA (0.31) MAOAMAOB
SCHEMBL25204194 0.65 MAOA (0.33) MAOAMAOB
SCHEMBL2912133 0.64 MAOA (0.36) MAOAMAOB
SCHEMBL2954623 0.64 MAOA (0.32) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO disclosed
US-4235247-A IN SMOKING TOBACCO INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-11-25 US disclosed