SCHEMBL8322836

SCHEMBL8322836

COc1cc(OC)nc(Oc2ccc(N(C)C3CCCCC3)nc2C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
JAK3 P52333 1/20 0.40
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TTK P33981 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8320898 0.91 SMN1; SMN2 (0.41) LCKJAK3ALDH1A1NPSR1CYP1A2
SCHEMBL7843972 0.83 ALDH1A1 (0.42) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7844302 0.82 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL9145299 0.82 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8323796 0.73 LMNA (0.44) ALDH1A1NPSR1
SCHEMBL7843340 0.72 SMN1; SMN2 (0.48) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8325297 0.72 ALDH1A1 (0.39) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
Potassium Ion SCHEMBL7834907 0.71 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7844292 0.71 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8319154 0.71 SMN1; SMN2 (0.44) ALDH1A1NPSR1

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