SCHEMBL4892596

SCHEMBL4892596

CCN(CC)CC.N#CCOP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.35
LPAR2 Q9HBW0 5/20 0.35
LPAR1 Q92633 4/20 0.35
ACHE P22303 1/20 0.34
PPIP5K2 O43314 1/20 0.32
FBP1 P09467 1/20 0.31
FDPS P14324 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 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
SCHEMBL4670278 0.85
Potassium Ion SCHEMBL5807703 0.83 TPI1 (0.34) LPAR3LPAR2LPAR1FBP1FDPS
SCHEMBL6794240 0.83 TPI1 (0.34) LPAR3LPAR2LPAR1FBP1FDPS
Phosphoric Acid SCHEMBL7714297 0.83 TPI1 (0.34) LPAR3LPAR2LPAR1FBP1FDPS
Ammonia Solution, Strong SCHEMBL10847788 0.83 TPI1 (0.34) LPAR3LPAR2LPAR1FBP1FDPS
Ammonia Solution, Strong SCHEMBL4523855 0.83 TPI1 (0.34) LPAR3LPAR2LPAR1FBP1FDPS
Ammonia Solution, Strong SCHEMBL3330065 0.83
SCHEMBL28956168 0.76 TSHR (0.43) LPAR3LPAR2LPAR1PPIP5K2
Butylamine SCHEMBL9405028 0.76 LPAR3 (0.44) LPAR3LPAR2LPAR1FDPS
Potassium Ion SCHEMBL5803916 0.73 SLC34A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107389884-B Method for comprehensively evaluating quality of snow mountain chicken 扬州大学 2020-08-07 CN disclosed
CN-103910836-B Preparation method of magnetic carbon nano-tube surface molecular imprinting polymer for biological sample pretreatment 中国药科大学 2017-02-15 CN disclosed
CN-103910836-A Preparation method of magnetic carbon nano-tube surface molecular imprinting polymer for biological sample pretreatment UNIV CHINA PHARMA 2014-07-09 CN disclosed
US-20080073201-A1 Acetonitrile Recycling Process UCB, S.A. (BE) 2008-03-27 US disclosed
WO-2006133477-A1 PEPTIDES CORRESPONDING TO HUMAN GROWTH HORMONE METABOLIC PHARMACEUTICALS LIMITED (AU) 2006-12-21 WO disclosed
EP-0759768-A4 VASOACTIVE INTESTINAL POLYPEPTIDE PROTEINIX COMPANY (US) 2000-08-09 EP disclosed
US-5770570-A LIPOSOMES PAUL SUDHIR (US) 1998-06-23 US disclosed
EP-0759768-A1 VASOACTIVE INTESTINAL POLYPEPTIDE Proteinix Company (US) 1997-03-05 EP disclosed
WO-1995027496-A1 VASOACTIVE INTESTINAL POLYPEPTIDE PROTEINIX COMPANY (US) 1995-10-19 WO disclosed