SCHEMBL8002550

SCHEMBL8002550

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL8012345 0.85 CA1 (0.30) CA1CA2
SCHEMBL4008043 0.83 CHRM1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9104581 0.83 CHRM1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5529997 0.82 GPR84 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17732713 0.79 DDAH1 (0.33)
SCHEMBL7895720 0.79 CA2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3844336 0.78 ALDH1A1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28331224 0.77 LMNA (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14318775 0.76 CACNA2D1 (0.42) ADRA1ATDP1
SCHEMBL8145845 0.76 CACNA2D1 (0.42) ADRA1ATDP1

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