SCHEMBL3728136

SCHEMBL3728136

CCC(C(=O)O)N(O)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
FFAR3 O14843 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30

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
SCHEMBL313272 0.81 PTGS1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL898887 0.81 PTGS1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4551242 0.81 TDP1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8407151 0.81 TDP1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11039366 0.81 TDP1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL786542 0.79 TDP1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL786771 0.79 TDP1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1419033 0.79 TDP1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14590731 0.79 HDAC1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL186529 0.79

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-20100167535-A1 CLEANING AGENT FOR SEMICONDUCTOR DEVICE AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE USING THE CLEANING AGENT FUJIFILM CORPORATION (JP) 2010-07-01 US disclosed