SCHEMBL8723703

SCHEMBL8723703

CCCCc1ccccc1C(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.44
CYSLTR1 Q9Y271 9/20 0.44
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL29573380 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL8063305 0.89 ADRA2A (0.41) CYSLTR2CYSLTR1
SCHEMBL1774296 0.83 GABRA1 (0.37) CYP3A4CYP2D6
SCHEMBL10513059 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL3197029 0.80 CYSLTR2 (0.43) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL30436245 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL5665256 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL9621646 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL11027240 0.79 CYSLTR2 (0.39) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6
SCHEMBL18241952 0.77 CYSLTR2 (0.46) CYSLTR2CYSLTR1CYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774015-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2021-02-17 EP disclosed
EP-3705560-A1 CONSUMER PRODUCT COMPOSITIONS WITH PERFUME ENCAPSULATES The Procter & Gamble Company (US) 2020-09-09 EP disclosed
WO-2019193094-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2019-10-10 WO disclosed
EP-3280496-A1 EXTENDED LONGEVITY FRAGRANCE DELIVERY COMPOSITION Momentive Performance Materials Inc. (US) 2018-02-14 EP disclosed
WO-2016164421-A1 EXTENDED LONGEVITY FRAGRANCE DELIVERY COMPOSITION MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-10-13 WO disclosed
WO-1998041603-A1 FABRIC LAUNDRY TREATMENT COMPOSITION UNILEVER PLC (GB) 1998-09-24 WO disclosed