SCHEMBL7809079

SCHEMBL7809079

C1=C(C2=COc3ccccc3O2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ELANE P08246 1/20 0.35
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL1483736 0.73
SCHEMBL23633181 0.72 MTNR1A (0.35)
SCHEMBL2965379 0.70 NTSR1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL11815728 0.65 PTGS2 (0.59) TDP1ELANEPTGS2MEN1KMT2A
SCHEMBL191429 0.65 ACMSD (0.49) TDP1ELANEPTGS2MEN1KMT2A
SCHEMBL8380044 0.65 ACMSD (0.49) TDP1ELANEPTGS2MEN1KMT2A
SCHEMBL14971441 0.65 TDP1 (0.44) TDP1ALDH1A1CYP3A4ELANEPTGS2
SCHEMBL13189924 0.65 MAOA (0.40)
SCHEMBL312110 0.65 MMP3 (0.41) MEN1KMT2A
SCHEMBL29658186 0.64 DRD2 (0.38) MEN1KMT2A

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
EP-0841337-B1 Substituted 7,12-dioxabenzo(a)anthracene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed
US-5807882-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1998-09-15 US disclosed
EP-0841337-A1 Substituted 7,12-dioxabenzo(a)anthracene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP disclosed