SCHEMBL8927464

SCHEMBL8927464

COCCOC(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2B P18089 1/20 0.46
OPRD1 P41143 1/20 0.46
SCN5A Q14524 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL14107747 0.84 LMNA (0.62) TSHRMAPTL3MBTL1CYP3A4KMT2A
SCHEMBL9969969 0.83 TSHR (0.64) TSHRMAPTABCB11CYP3A4ADRA2B
SCHEMBL4873097 0.80 CA12 (0.58) L3MBTL1CYP3A4KMT2AALDH1A1LMNA
SCHEMBL8927471 0.80 ACHE (0.55) TSHRMAPTL3MBTL1KMT2ALMNA
SCHEMBL9561176 0.80 TSHR (0.45) TSHRMAPTABCB11CYP3A4ADRA2B
SCHEMBL12037981 0.79 CYP3A4 (0.55) TSHRMAPTABCB11CYP3A4ADRA2B
SCHEMBL514995 0.78 TSHR (0.69) TSHRMAPTKMT2AALDH1A1MAPK1
SCHEMBL16640624 0.78 MAPT (0.60) TSHRMAPTABCB11CYP3A4ADRA2B
SCHEMBL9928660 0.78 CYP3A4 (0.66) TSHRMAPTABCB11CYP3A4ADRA2B
SCHEMBL1780723 0.77 MAPT (0.63) TSHRMAPTL3MBTL1KMT2AALDH1A1

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-8187791-B2 Lithographic printing plate precursor and plate making method thereof FUJIFILM CORPORATION (JP) 2012-05-29 US disclosed
US-20100075252-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed