SCHEMBL8326971

SCHEMBL8326971

COc1cc(OC)nc(Oc2ccc(N(C)C)nc2C(=O)OC(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7843340 0.88 SMN1; SMN2 (0.48) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7845668 0.85 CYP1A2 (0.37) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7843972 0.84 ALDH1A1 (0.42) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7846547 0.84 NPSR1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7844302 0.83 ALDH1A1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9145299 0.83 ALDH1A1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
Potassium Ion SCHEMBL7834907 0.82 ALDH1A1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7844292 0.82 ALDH1A1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL10482199 0.79 CTSA (0.52) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
Ammonia Solution, Strong SCHEMBL9694122 0.78 CTSA (0.52) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4

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-0567133-B1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-11-03 EP disclosed
US-5403816-A Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-04 US disclosed
EP-0567133-A1 Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-10-27 EP disclosed