SCHEMBL9047372

SCHEMBL9047372

COc1ccc(-c2cccc(Oc3nc(OC)c(F)c(OC)n3)c2C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.41
TDO2 P48775 1/20 0.38
FAAH O00519 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
OXTR P30559 1/20 0.37

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
SCHEMBL9046270 0.87 CA12 (0.41)
SCHEMBL9045391 0.85 PTGDR2 (0.39)
SCHEMBL9053287 0.85 CYP2C9 (0.40)
SCHEMBL8567658 0.76 CYP1A2 (0.44)
SCHEMBL9754476 0.75 ALDH1A1 (0.41)
SCHEMBL9215334 0.75 CYP1A2 (0.52)
SCHEMBL8889863 0.73 CA12 (0.54)
SCHEMBL9754622 0.72 CYP1A2 (0.47)
SCHEMBL9754474 0.71 CYP2C9 (0.44)
SCHEMBL9754415 0.70 ADORA3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723961-A1 Fluorinated pyrimidines and their herbicidal use BASF AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed