SCHEMBL7556785

SCHEMBL7556785

CCCCCCCCNCCCCC[C]=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48
EPHX1 P07099 6/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
RELA Q04206 4/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL28231691 1.00 ALDH1A1 (0.59) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL28231695 1.00 ALDH1A1 (0.59) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL3022772 1.00 ALDH1A1 (0.59) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL3031669 0.98 TSHR (0.62) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7672983 0.93 TSHR (0.55) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7372280 0.91 PAOX (0.47) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7678758 0.88 PAOX (0.48) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL3030506 0.86 TSHR (0.50) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL15978 0.85 TSHR (0.50) ALDH1A1TSHREPHX2
SCHEMBL154927 0.85 TSHR (0.50) ALDH1A1TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108430445-A Spice composition 西姆莱斯股份公司 2018-08-21 CN disclosed
CN-108291179-A Liquid detergent composition 荷兰联合利华有限公司 2018-07-17 CN disclosed
CN-107075424-A Encapsulated benefit agent particles 雷沃利默(英国)有限公司 2017-08-18 CN disclosed
EP-1173535-A1 TREATING COMPOSITIONS COMPRISING POLYSACCHARIDES THE PROCTER & GAMBLE COMPANY (US) 2002-01-23 EP disclosed
WO-2000065014-A1 TREATING COMPOSITIONS COMPRISING POLYSACCHARIDES THE PROCTER & GAMBLE COMPANY (US) 2000-11-02 WO disclosed