SCHEMBL28057535

SCHEMBL28057535

CCCC(C)C(C)(C)C(=O)O.[Zn]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 4/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL1245572 0.98 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27114605 0.95 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27516636 0.95 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL11796412 0.95 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21616694 0.88 CTSK (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1914498 0.86 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3745224 0.84 CA2 (0.48) CA2MAPK1CTSSCTSKSLC1A3
Furan SCHEMBL27904401 0.83 PRSS1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5164295 0.83 ACE2 (0.46) CA2MAPK1GRIK1SLC1A2SLC1A1
SCHEMBL28671008 0.83 CA2 (0.47) CA2MAPK1CTSSCTSKSLC1A3

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-108003390-B A kind of compound organo-tin het stabilizer of environment-friendly type and preparation method thereof 广州市联诺化工科技有限公司 2019-07-05 CN claimed
CN-108003390-A A kind of compound organo-tin het stabilizer of environment-friendly type and preparation method thereof 广州市联诺化工科技有限公司 2018-05-08 CN claimed
CN-108003390-B A kind of compound organo-tin het stabilizer of environment-friendly type and preparation method thereof 广州市联诺化工科技有限公司 2019-07-05 CN disclosed
CN-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-108003390-A A kind of compound organo-tin het stabilizer of environment-friendly type and preparation method thereof 广州市联诺化工科技有限公司 2018-05-08 CN disclosed
CN-107787340-A The production of low emission polyurethane 赢创德固赛有限公司 2018-03-09 CN disclosed
CN-107057011-A The mattress and/or cushion of anti-aging and low emission 赢创德固赛有限公司 2017-08-18 CN disclosed
CN-106574032-A Nitrogen-containing compounds suitable for use in the production of polyurethanes 赢创德固赛有限公司 2017-04-19 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed
CN-105418956-A Production Of Viscoelastic Polyurethane Systems Using Block Polymers Having Linked Siloxane Blocks As Cell-Opening Agents EVONIK DEGUSSA GMBH 2016-03-23 CN disclosed