SCHEMBL3900801

SCHEMBL3900801

c1ccc(C2=C(c3cccc4ccccc34)C3CCC2C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL3907879 0.81 CYP1A2 (0.37) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3902761 0.80 PTGS2 (0.43) ALDH1A1GABRA1GABRG2GABRB3CHRNB2
SCHEMBL6718297 0.73 SLC6A4 (0.40) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14355174 0.73 SIGMAR1 (0.37) KDM4EL3MBTL1SLC6A3BCHEACHE
SCHEMBL31330199 0.72 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL69345 0.71 TNF (0.61) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL27988223 0.71 TNF (0.61) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Biphenyl SCHEMBL1073325 0.71 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29399206 0.71 TNF (0.61) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Hydrogen Sulfide SCHEMBL29156136 0.69 TNF (0.59) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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-7550546-B2 Norbornene-based polymers, films, polarizing plates and liquid crystal display devices FUJIFILM CORPORATION (JP) 2009-06-23 US disclosed
US-20080033133-A1 NORBORNENE-BASED POLYMERS, FILMS, POLARIZING PLATES AND LIQUID CRYSTAL DISPLAY DEVICES FUJIFILM CORPORATION (JP) 2008-02-07 US disclosed