SCHEMBL8012001

SCHEMBL8012001

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 3/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTSK P43235 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
SCHEMBL8048415 0.88 TSHR (0.57) TSHRSMN1; SMN2CYP3A4CA1CA2
SCHEMBL7338718 0.84 TSHR (0.48) TSHRSMN1; SMN2CYP3A4CA2GRIK1
SCHEMBL11850566 0.84 TSHR (0.48) TSHRSMN1; SMN2CYP3A4CA2GRIK1
SCHEMBL8011737 0.82
SCHEMBL8011644 0.81 CNR1 (0.40) TSHRSMN1; SMN2CHRM1AKR1A1CHRM3
SCHEMBL3332157 0.80 TSHR (0.41) TSHRSMN1; SMN2CHRM1AKR1A1CHRM3
SCHEMBL514688 0.75
SCHEMBL18271802 0.75 TSHR (0.38) TSHRSMN1; SMN2CHRM1AKR1A1CHRM3
SCHEMBL7749336 0.75 TSHR (0.38) TSHRSMN1; SMN2CHRM1AKR1A1CHRM3
SCHEMBL19411822 0.74 STAT3 (0.38) TSHRSMN1; SMN2CHRM1AKR1A1CHRM3

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
US-6117822-A AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-12 US disclosed
EP-0788479-B1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2000-04-19 EP disclosed
EP-0939078-A2 Substituted phthalimido-cinnamic acid derivatives with herbicidal activity BASF AKTIENGESELLSCHAFT (DE) 1999-09-01 EP disclosed
US-5807807-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0788479-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed
WO-1996014298-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1996-05-17 WO disclosed