SCHEMBL28021733

SCHEMBL28021733

CCCC(=O)Oc1c[nH]c2ccccc12.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.65
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PBRM1 Q86U86 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
APAF1 O14727 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTNNB1 P35222 1/20 0.47

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
SCHEMBL148210 0.98 SLC22A6 (0.67) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL17536618 0.97 SLC22A6 (0.65) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL28215558 0.97 SLC22A6 (0.65) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL10599504 0.91 SLC22A6 (0.61) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL6835665 0.91 SLC22A6 (0.68) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL28258881 0.90 SLC22A6 (0.60) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL28113890 0.89 SLC22A6 (0.67) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL1121806 0.89 SLC22A6 (0.58) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL4558873 0.89 SLC22A6 (0.58) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL29000165 0.89 SLC22A6 (0.58) SLC22A6GABRA1GABRB2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115299447-A Soluble agent and application thereof 陕西北农华绿色生物技术有限公司 2022-11-08 CN disclosed
CN-110249902-A A kind of perennial grape high-survival rate method for transplanting not influencing Growth status 山东省葡萄研究院 2019-09-20 CN disclosed
CN-109792918-A A kind of avocado graft seedling growth technology 贵州省亚热带作物研究所 2019-05-24 CN disclosed
CN-104738088-A Plant root system growth-helping agent TANG BIN 2015-07-01 CN disclosed