SCHEMBL9694187

SCHEMBL9694187

CCCCOC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.52
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10482041 0.93 CTSA (0.51) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7846224 0.89 CTSA (0.55) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9694300 0.88 CTSA (0.52) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9693378 0.85 CTSA (0.52) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL731243 0.83 ALDH1A1 (0.56) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9691950 0.83 CTSA (0.50) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL732099 0.82 CTSA (0.54) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9378925 0.82 CTSA (0.50) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9048838 0.81 CTSA (0.50) CTSACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9261615 0.81 CTSA (0.45) CTSACYP1A2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249707-B1 PICOLINIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP claimed
US-4832729-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-23 US claimed
EP-0249707-A1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 EP claimed