SCHEMBL7091252

SCHEMBL7091252

CCCCC(CC)COc1[c]cc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 5/20 0.39
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 1/20 0.35
AHR P35869 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ATM Q13315 1/20 0.34
MMP13 P45452 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.32

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
SCHEMBL3282984 0.82 CYP3A4 (0.40) TDP1ALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL5147091 0.82 ALDH1A1 (0.44) TDP1ALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL1822785 0.81 TDP1 (0.56) TDP1ALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL21268154 0.80 AHR (0.42) CYP3A4CA2L3MBTL1LMNATSHR
SCHEMBL1356320 0.77 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL1357035 0.77 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL7690618 0.76 NR5A1 (0.46) LMNATSHRHSD17B10AHRMAPT
SCHEMBL2890993 0.76 HPGD (0.43) ALDH1A1CA2LMNATSHRMAPK1
SCHEMBL340855 0.75 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL8943702 0.74 TDP1 (0.50) TDP1ALDH1A1CYP3A4CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030157367-A1 Blue light-emitting polymer containing 9, 10-diphenylanthracene moiety and electroluminescent device using the same SK CORPORATION 2003-08-21 US claimed
US-20030157367-A1 Blue light-emitting polymer containing 9, 10-diphenylanthracene moiety and electroluminescent device using the same SK CORPORATION 2003-08-21 US disclosed