SCHEMBL31314909

SCHEMBL31314909

CCC#CC(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32

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
SCHEMBL9599502 0.88 GRIK1 (0.40) GRIK1GRIK2CHRM1AKR1A1CHRM3
SCHEMBL10946718 0.80 GRIK1 (0.43) GRIK1GRIK2CHRM1AKR1A1CHRM3
SCHEMBL5245011 0.77
SCHEMBL455293 0.77
SCHEMBL3107148 0.77
SCHEMBL30088546 0.77 PTPN7 (0.48) TDP1GPR84FFAR1MAPTLCK
SCHEMBL30088538 0.77 PTPN7 (0.53) TDP1GPR84FFAR1MAPTPTPN7
SCHEMBL10477518 0.75 GRIK1 (0.50) GRIK1GRIK2CHRM1
SCHEMBL15551689 0.75 GRIK1 (0.50) GRIK1GRIK2CHRM1
SCHEMBL4816341 0.75 GRIK1 (0.41) GRIK1GRIK2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376256-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DEGREASED BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND METHOD OF PRODUCING INORGANIC MATERIAL MOLDED ARTICLE KUREHA CORPORATION (JP) 2024-11-14 US disclosed