SCHEMBL8411202

SCHEMBL8411202

COc1cc(CNCCNCCNC(C)NCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL8026574 0.86 GAA (0.60) GAAMEN1KMT2ASMN1; SMN2TUBB4A
SCHEMBL8533124 0.86 GAA (0.60) GAAMEN1KMT2ASMN1; SMN2TUBB4A
SCHEMBL6929324 0.86 GAA (0.60) GAAMEN1KMT2ASMN1; SMN2TUBB4A
Hydrochloric Acid SCHEMBL8407992 0.84 GAA (0.63) GAAMEN1KMT2ASMN1; SMN2TUBB4A
Hydrochloric Acid SCHEMBL8409806 0.84 GAA (0.63) GAAMEN1KMT2ASMN1; SMN2TUBB4A
Hydrochloric Acid SCHEMBL8027086 0.84 GAA (0.63) GAAMEN1KMT2ASMN1; SMN2TUBB4A
SCHEMBL207179 0.84 GAA (0.62) GAAMEN1KMT2ASMN1; SMN2TUBB4A
Hydrochloric Acid SCHEMBL8410665 0.82 GAA (0.65) GAAMEN1KMT2ASMN1; SMN2TUBB4A
SCHEMBL8411235 0.81 MEN1 (0.40) GAAMEN1KMT2ASMN1; SMN2PTGS2
Hydrochloric Acid SCHEMBL8407993 0.80 GAA (0.41) GAAMEN1KMT2ASMN1; SMN2KDM4E

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
US-5910513-A PROTECTING THE BODY AGAINST OXIDATIVE STRESS SUCH AS NEURODEGENERATIVE DISEASES, PARKINSON'S DISEASE, CHRONIC INFLAMMATORY CONDITIONS, REINFUSION ISCHAEMIA SYNDROME, THE TOXICITY OF CERTAIN DRUGS SUCH AS CERTAIN XENOBIOTICS L'OREAL (FR) 1999-06-08 US disclosed