SCHEMBL3921146

SCHEMBL3921146

CCOc1cc(O)c[c]c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ESR1 P03372 1/20 0.35
LTA4H P09960 1/20 0.34
CALM1 P0DP23 2/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
THRB P10828 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL4406838 0.81 PDE4A (0.35) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL9160971 0.77 CYP3A4 (0.48) TSHRCYP3A4ESR1MAPTMAPK1
SCHEMBL9541800 0.70 TSHR (0.57) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL28413851 0.68 TSHR (0.39) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL3026188 0.68 CALM1 (0.51) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1301200 0.68 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL23796733 0.67 CA12 (0.56) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL2319036 0.67 ALDH1A1 (0.59) TSHRALDH1A1MEN1KMT2ALTA4H
SCHEMBL9804771 0.67 CYP3A4 (0.64) TSHRCYP3A4ALDH1A1CALM1HSD17B10
SCHEMBL971905 0.67 LTA4H (0.45) TSHRCYP3A4ALDH1A1LTA4HCALM1

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-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US claimed
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US disclosed
US-20060017791-A1 Compositions and inks containing disazo dyes AVECIA INKJET LIMITED (GB) 2006-01-26 US disclosed