SCHEMBL5573382

SCHEMBL5573382

COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(Br)c(OC)c(OC)c1)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPK1 P28482 3/20 0.63
ABCB1 P08183 2/20 0.63
LMNA P02545 7/20 0.61
HTT P42858 3/20 0.61
MIF P14174 3/20 0.61
HSD17B3 P37058 1/20 0.54
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51

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
SCHEMBL5573384 1.00 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL14454079 1.00 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5690355 0.91 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5618362 0.86 MAPT (0.84) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL5618360 0.86 MAPT (0.84) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL5691813 0.82 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5690357 0.81 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5691063 0.81 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5691824 0.81 BCHE (0.58) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5690961 0.81 MAPT (0.76) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1

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-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed