SCHEMBL8901620

SCHEMBL8901620

CC(=O)c1c(C)c(C)c(C(C)=O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 2/20 0.60
MITF O75030 1/20 0.60
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
APAF1 O14727 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 4/20 0.47
MAOA P21397 2/20 0.47
ELANE P08246 1/20 0.46
S100A4 P26447 1/20 0.46
POLB P06746 1/20 0.45
TTR P02766 2/20 0.45
PABPC1 P11940 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
STAT3 P40763 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL8756313 0.79 MAPT (0.55) MAPTLMNAHTTMITFALDH1A1
SCHEMBL13238521 0.79 TTR (0.53) MAPTLMNAHTTMITFALDH1A1
SCHEMBL9612618 0.78 MAPT (0.54) MAPTLMNAHTTMITFALDH1A1
SCHEMBL8902531 0.78 MAPT (0.50) MAPTLMNAHTTMITFALDH1A1
SCHEMBL15315053 0.74 MAPT (0.54) MAPTLMNAHTTMITFALDH1A1
SCHEMBL1666679 0.74 SMN1; SMN2 (0.46) MAPTLMNAHTTMITFALDH1A1
SCHEMBL430601 0.74 MAPT (0.53) MAPTLMNAHTTMITFALDH1A1
SCHEMBL9510889 0.73 MEN1 (0.55) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL28226729 0.73 MAOA (0.59) MAPTLMNAHTTMITFALDH1A1
Anthraquinone SCHEMBL11698233 0.73 MEN1 (0.71) MAPTLMNAHTTALDH1A1KMT2A

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