SCHEMBL5690357

SCHEMBL5690357

COc1cc(C=C2CCc3cc(OC)c(OC)cc3C2=O)cc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPK1 P28482 1/20 0.63
EGFR P00533 2/20 0.60
NFE2L2 Q16236 1/20 0.60
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
MIF P14174 5/20 0.56
ABCB1 P08183 1/20 0.56
MAOB P27338 1/20 0.55
LMNA P02545 5/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL5691063 1.00 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1EGFR
SCHEMBL5690576 0.88 MIF (0.69) MAPTSMN1; SMN2ALDH1A1MAPK1BCHE
SCHEMBL5690658 0.87 MAOB (0.64) ACHEMIFABCB1MAOB
SCHEMBL5691830 0.87 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1MAPK1EGFR
SCHEMBL5690601 0.86 BCHE (0.58) MAPTSMN1; SMN2ALDH1A1MAPK1BCHE
SCHEMBL5690355 0.86 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1MAPK1BCHE
SCHEMBL5691824 0.86 BCHE (0.58) MAPTSMN1; SMN2ALDH1A1MAPK1BCHE
SCHEMBL5691813 0.85 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1MAPK1BCHE
SCHEMBL5690961 0.83 MAPT (0.76) MAPTSMN1; SMN2ALDH1A1MAPK1BCHE
SCHEMBL17077354 0.82 EGFR (0.86) SMN1; SMN2EGFRNFE2L2LMNAXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039897-B1 INADONE AND TETRALONE COMPOUNDS FOR INHIBITING CELL PROLIFERATION UNIV CALIFORNIA (US) 2006-04-12 EP disclosed
US-6162810-A Inadone and tetralone compounds for inhibiting cell proliferation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-19 US disclosed