SCHEMBL7845668

SCHEMBL7845668

CCOC(=O)OC(C)OC(=O)c1nc(N(C)C)ccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
CTSA P10619 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8326971 0.85 NPSR1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7846547 0.80 NPSR1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7843340 0.80 SMN1; SMN2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL732023 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7843972 0.77 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9145299 0.76 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7844302 0.76 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
Potassium Ion SCHEMBL7834907 0.74 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7844292 0.74 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5178714 0.71 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed