SCHEMBL15499161

SCHEMBL15499161

CC(=O)OCCOCCOc1ccc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(C#N)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MMP2 P08253 7/20 0.53
▸ MMP3 P08254 6/20 0.53
▸ RARB P10826 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ VNN1 O95497 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL15496878 0.91 RARB (0.57) MAPTALDH1A1RARBGAAPOLB
SCHEMBL15499160 0.87 MAPT (0.45) MAPTALDH1A1MMP2MMP3RARB
SCHEMBL15499162 0.87 MAPT (0.59) MAPTALDH1A1MMP2MMP3RARB
SCHEMBL15499141 0.86 MAPT (0.48) MAPTALDH1A1MMP2MMP3RARB
SCHEMBL15499159 0.86 MAPT (0.44) MAPTALDH1A1MMP2MMP3RARB
SCHEMBL15496868 0.86 RARB (0.52) MAPTALDH1A1RARBGAA
SCHEMBL19962766 0.85 ALDH1A1 (0.71) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL15499146 0.81 MAOB (0.48) RARBGAA
SCHEMBL17011401 0.81 RARB (0.72) ALDH1A1RARBPOLB
SCHEMBL25123515 0.81 MAPT (0.55) MAPTALDH1A1MMP2MMP3RARB

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
US-20140064053-A1 NON-RESONANT TWO-PHOTON ABSORPTION MATERIAL, NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, RECORDING MEDIUM, RECORDING/REPRODUCING METHOD AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2014-03-06 — — US disclosed
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