SCHEMBL6101629

SCHEMBL6101629

CCCC(N=C=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.36
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GRIK2 Q13002 1/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4906428 0.88 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL592033 0.88 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11155839 0.86 CYP3A4 (0.35) MAPTCYP3A4TSHRHIF1AHSD17B10
Hydrochloric Acid SCHEMBL8862325 0.86 CA2 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5575605 0.84 MAPT (0.53) MAPTGRIK1SLC1A2SLC1A1GRIK2
SCHEMBL11856369 0.84 MAPT (0.53) MAPTGRIK1SLC1A2SLC1A1GRIK2
SCHEMBL8728129 0.83 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL169398 0.82
SCHEMBL11396426 0.82 MAPT (0.33) MAPTCYP3A4TSHRHIF1AHSD17B10
SCHEMBL11403455 0.82 MAPT (0.34) MAPTGPR84CYP3A4TSHRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284102-A Preparation method of silane coupling agent and application of silane coupling agent in polylactic acid composite material 吉祥三宝高科纺织有限公司 2023-06-23 CN disclosed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 CN disclosed
WO-2012099477-A1 BIOSURFACE ENGINEERING BOVIN NICOLAI VLADIMIROVICH (RU) 2012-07-26 WO disclosed
US-20060099417-A1 Polyurethane-based anhydrous sizing compositions for glass fibres, glass fibres obtained and composite materials comprising said fibres SAINT-GOBAIN VETROEX FRANCE (FR) 2006-05-11 US disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN disclosed