SCHEMBL5873246

SCHEMBL5873246

CCCCC(CC)COc1c[c]c(C=[C]OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 5/20 0.34
ALDH1A1 P00352 5/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL2047656 0.82 TDP1 (0.35) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL1356320 0.74 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL1357035 0.74 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL4551543 0.73 TDP1 (0.35) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL7091252 0.72 TDP1 (0.45) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL1822785 0.72 TDP1 (0.56) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL17527142 0.70 ALDH1A1 (0.44) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL20357876 0.70 CYP3A4 (0.47) TDP1CYP3A4ALDH1A1CA2LMNA
SCHEMBL6508751 0.69 KDM4E (0.38) TDP1MAPK1
SCHEMBL4576703 0.69 ALDH1A1 (0.43) TDP1CYP3A4ALDH1A1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135241-B2 The present invention is a process producing a light-emitting block copolymers that intends polymerizing a first di(halo-methyl) aromatic monomer compound in the presence of an anionic initiator and a base to form a polymer and BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-11-14 US claimed
US-20030222246-A1 Light-emitting block copolymers composition, process and use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-04 US claimed
US-7135241-B2 The present invention is a process producing a light-emitting block copolymers that intends polymerizing a first di(halo-methyl) aromatic monomer compound in the presence of an anionic initiator and a base to form a polymer and BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-11-14 US disclosed
US-20030222246-A1 Light-emitting block copolymers composition, process and use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-04 US disclosed