SCHEMBL8903221

SCHEMBL8903221

CCOC(=O)C1CC2=C(C(=O)c3c(cc4ccccc4c3OC(C)=O)C2=O)C(O)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
CTH P32929 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
TYMS P04818 1/20 0.32
ELANE P08246 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 2/20 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
SCHEMBL8903519 1.00 NR1D1 (0.33) NR1D1HTTALDH1A1KDM4EKMT2A
SCHEMBL8903531 0.96 NR1D1 (0.33) NR1D1HTTALDH1A1KDM4EKMT2A
SCHEMBL8901727 0.86 KDM4E (0.34) HTTALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL8902600 0.84 ALDH1A1 (0.35) NR1D1HTTALDH1A1KDM4ETSHR
SCHEMBL8902842 0.84 ALDH1A1 (0.35) NR1D1HTTALDH1A1KDM4ETSHR
SCHEMBL9521733 0.83 KDM4E (0.33) HTTALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL9755801 0.80 KDM4E (0.34) HTTALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL8902603 0.80 AKT1 (0.36) ALDH1A1KDM4EKMT2AL3MBTL1CTH
SCHEMBL8903173 0.80 TSHR (0.34) NR1D1HTTALDH1A1KDM4EKMT2A
SCHEMBL8902823 0.79 IDO1 (0.39) HTTALDH1A1KDM4EKMT2AL3MBTL1

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-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed