SCHEMBL28096121

SCHEMBL28096121

C=CCC(=O)C(O)C(O)C(O)C(O)CO.CCCCCN

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
DNM1 Q05193 8/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
Palmitic Acid SCHEMBL28788074 0.84 GPR84 (0.45) PDE4ALMNAUSP2MEN1KMT2A
Stearic Acid SCHEMBL29015159 0.84 GPR84 (0.45) PDE4ALMNAUSP2MEN1KMT2A
SCHEMBL1704734 0.83 PDE4A (0.52) PDE4ALMNAUSP2SLCO1B1TSHR
SCHEMBL27438858 0.83 PDE4A (0.52) PDE4ALMNAUSP2SLCO1B1TSHR
SCHEMBL1062215 0.83 PDE4A (0.52) PDE4ALMNAUSP2SLCO1B1TSHR
SCHEMBL8658675 0.82 PDE4A (0.50) PDE4ALMNAUSP2SLCO1B1TSHR
Bicarbonate SCHEMBL30050792 0.80 PDE4A (0.53) PDE4ALMNAUSP2SLCO1B1TSHR
Acrylamide SCHEMBL6682076 0.79 PDE4A (0.44) PDE4ALMNAUSP2SLCO1B1ALDH1A1
SCHEMBL28855714 0.79 PDE4A (0.39) PDE4ALMNAUSP2SLCO1B1DNM1
SCHEMBL18825591 0.78 PDE4A (0.43) PDE4ALMNAUSP2SLCO1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008796-A Production method of mercury ion probe sheet 金宝丽科技(苏州)有限公司 2016-10-12 CN claimed
CN-108785911-B A kind of transformer oil extinguishing chemical and fire extinguishing system 国网湖南省电力有限公司 2019-08-09 CN disclosed
CN-109790525-A Lipase Variant, the polynucleotides for encoding it and application thereof 诺维信公司 2019-05-21 CN disclosed
CN-108192750-A A kind of antibacterial cleaning agent for dinnerware 广州馨香日用化工有限公司 2018-06-22 CN disclosed
CN-106046246-B Heavy metal detection sensing material and preparation method and application thereof 陶伟珍 2018-05-25 CN disclosed
CN-107995922-A There is the detergent composition of improved stability in the presence of sulphite 诺维信公司 2018-05-04 CN disclosed
CN-107922930-A method for reducing odor 诺维信公司 2018-04-17 CN disclosed
CN-107501469-A Heavy metal analysis sensing material 苏州益可泰电子材料有限公司 2017-12-22 CN disclosed
CN-107474183-A The application of heavy metal analysis sensing material 苏州益可泰电子材料有限公司 2017-12-15 CN disclosed
CN-106046246-A Heavy metal detection sensing material and preparation method and application thereof 苏州益可泰电子材料有限公司 2016-10-26 CN disclosed