SCHEMBL11448802

SCHEMBL11448802

C/C=C/C(=O)C1=C(C)C=CCC1(C)CC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL11448803 1.00 MAOA (0.30) MAOAMAOBTHRATHRB
SCHEMBL11455715 0.87
SCHEMBL11455713 0.87
SCHEMBL11447995 0.82 MAOA (0.30) MAOAMAOB
SCHEMBL80947 0.81 MAOA (0.35) MAOAMAOB
SCHEMBL11448674 0.81 MAOA (0.35) MAOAMAOB
SCHEMBL5980823 0.81 MAOA (0.35) MAOAMAOB
SCHEMBL5980820 0.81 MAOA (0.35) MAOAMAOB
SCHEMBL164856 0.81 MAOA (0.35) MAOAMAOB
SCHEMBL11450288 0.81 MAOA (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4226892-A Flavoring with cycloaliphatic unsaturated ketones FIRMENICH SA (CH) 1980-10-07 US disclosed
US-4187863-A Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products FIRMENICH SA (CH) 1980-02-12 US disclosed
US-3975310-A PERFUME FIRMENICH S.A. (CH) 1976-08-17 US disclosed
US-3931326-A FLAVOR, TASTE, ODOR, PERFUMES FIRMENICH SA (CH) 1976-01-06 US disclosed