SCHEMBL7950249

SCHEMBL7950249

COc1cc(OC)nc(Oc2cccc(OC(=O)NC3CCCCC3)c2-c2cnco2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.40
EPHX1 P07099 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8451799 0.82 EPHX1 (0.39) EPHX1MEN1NPC1RAB9AKMT2A
SCHEMBL7950180 0.78 L3MBTL1 (0.39)
SCHEMBL7950171 0.76 CYP1A2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL7964697 0.75 CYP1A2 (0.43)
SCHEMBL7950387 0.74 IMPDH2 (0.42)
SCHEMBL7950159 0.71 AAK1 (0.40) AAK1ALDH1A1
SCHEMBL7958560 0.71 IMPDH2 (0.35)
SCHEMBL7962465 0.69 NPSR1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL7950178 0.68 IMPDH2 (0.32)
SCHEMBL4318377 0.64 EPHX1 (0.65) EPHX1RAB9AFAAHALDH1A1

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
US-6268310-B1 CONTROLLING WEEDS NIPPON SODA CO., LTD. (JP) 2001-07-31 US disclosed
US-6107251-A SUCH AS 5-(2-(4,6-DIMETHOXYPYRIMIDINE-2-YLOXY)-6-(4,6-DIMETHOXYTRIAZINE-2 -YLOXY)PHENYL)OXAZOLE AND OTHER COMPOUNDS OF SPECIFIED FORMULA NIPPON SODA CO., LTD. (JP) 2000-08-22 US disclosed
EP-0776894-A1 OXAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-06-04 EP disclosed