SCHEMBL9495545

SCHEMBL9495545

Cc1cccc(C2CCOC2)c1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.54
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A4 P31645 3/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 1/20 0.35
OPRL1 P41146 1/20 0.35
PDE10A Q9Y233 1/20 0.34
MAP3K14 Q99558 1/20 0.34
GRM7 Q14831 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL28696366 0.90 HTR2C (0.51) HTR2CHTR2AHTR2BPDE10AMAP3K14
SCHEMBL26530978 0.89 HTR2C (0.62) HTR2CHTR2AHTR2BSLC6A4CYP2D6
SCHEMBL28452283 0.85 HTR2C (0.52) HTR2CHTR2AHTR2BPDE10A
SCHEMBL15517656 0.83 ALDH1A1 (0.42) HTR2CPDE10AMAP3K14
SCHEMBL31546566 0.83 CD44 (0.38) HTR2CHTR2AHTR2BCYP2D6PDE10A
SCHEMBL16956125 0.78 HTR2C (0.74) HTR2CHTR2AHTR2BOPRL1GRM7
SCHEMBL19594354 0.77 PDE1A (0.38) HTR2CSLC6A4SLC6A2PDE10A
SCHEMBL7547527 0.75 GRM7 (0.37) HTR2COPRL1GRM7
SCHEMBL14849672 0.75 HTR2C (0.49) HTR2CHTR2AHTR2BPDE10A
SCHEMBL6386133 0.75 HTR2C (0.69) HTR2CHTR2AHTR2BGRM7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562032-A Mixture comprising at least dihydro -5- amyl -2 (3H)-furanone and 2,4- dimethyl -4- phenyl tetrahydrofuran and its for the purposes of covering smell 伊碧申香料有限公司 2019-04-02 CN claimed
CN-1080953-A A kind of aqueous liquid bleach compositions with fluorescent whitening agent and polyvinyl pyrrolidone or polyvinyl alcohol PROCTER & GAMBLE (US) 1994-01-19 CN claimed
CN-109562032-A Mixture comprising at least dihydro -5- amyl -2 (3H)-furanone and 2,4- dimethyl -4- phenyl tetrahydrofuran and its for the purposes of covering smell 伊碧申香料有限公司 2019-04-02 CN disclosed
CN-109562032-A Mixture comprising at least dihydro -5- amyl -2 (3H)-furanone and 2,4- dimethyl -4- phenyl tetrahydrofuran and its for the purposes of covering smell 伊碧申香料有限公司 2019-04-02 CN disclosed
CN-109153883-A Birds deterrent coating 大阪WINTON有限公司 2019-01-04 CN disclosed
CN-102174252-B Non-textile polymer compositions and methods INVISTA TECH SARL 2013-03-27 CN disclosed
CN-102174252-A Non-textile polymer compositions and methods INVISTA TECH SARL 2011-09-07 CN disclosed
CN-1080953-A A kind of aqueous liquid bleach compositions with fluorescent whitening agent and polyvinyl pyrrolidone or polyvinyl alcohol PROCTER & GAMBLE (US) 1994-01-19 CN disclosed
CN-1077985-A Aqueous or the gluey bleaching composition of amide-containing peroxyacid bleach and perfume compound PROCTER & GAMBLE (US) 1993-11-03 CN disclosed
WO-1993021296-A1 AQUEOUS LIQUID BLEACH COMPOSITIONS WITH FLUORESCENT WHITENING AGENT AND POLYVINYL PYRROLIDONE OR POLYVINYL ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO disclosed
US-5234617-A Cleaning, bleaching fabrics Hunter, Kathleen B. (US) 1993-08-10 US disclosed