SCHEMBL8901856

SCHEMBL8901856

COc1ccc(OC)c2c1COC(OC(=O)Cc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL8901817 0.77 HTT (0.48) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL521069 0.69 MAPT (0.57) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL9827937 0.67 KMT2A (0.58) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL9710536 0.66 ALDH1A1 (0.57) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL10996751 0.66 MAPT (0.53) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL8901821 0.65 L3MBTL1 (0.39) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL8529815 0.64 ADRA1A (0.46) ALDH1A1KDM4E
SCHEMBL398701 0.64 LMNA (0.73) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL9710538 0.64 MAPT (0.55) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL27874614 0.64 ALDH1A1 (0.55) LMNAMAPTALDH1A1KMT2AMEN1

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-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed