SCHEMBL12581979

SCHEMBL12581979

C=CC(=O)Oc1ccc(-c2ccc(N(C(/C=C\C(=C)C)=C/C)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE6D O43924 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TGM2 P21980 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL12808642 0.81 TRPM8 (0.35) LMNAALDH1A1SMN1; SMN2TGM2KMT2A
SCHEMBL13051080 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL12149075 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL11938791 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL13051081 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL2540869 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL9915715 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL12149033 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL12149086 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT
SCHEMBL9915808 0.78 THRB (0.50) LMNATHRBALDH1A1PDE6DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 — — WO disclosed
Send feedback