SCHEMBL15499159

SCHEMBL15499159

CC(=O)OCCOCCOc1cc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(C#N)cc5)cc4)cc3)cc2)cc(OCCOCCOC(C)=O)c1OCCOCCOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MMP2 P08253 6/20 0.40
▸ MMP3 P08254 6/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RARB P10826 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ VNN1 O95497 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL15496884 0.91 LMNA (0.40) MAPTALDH1A1L3MBTL1LMNARARB
SCHEMBL15499160 0.90 MAPT (0.45) MAPTALDH1A1MMP2MMP3KDM1A
SCHEMBL15499143 0.90 KDM1A (0.41) MAPTALDH1A1KDM1AL3MBTL1LMNA
SCHEMBL15496866 0.86 LMNA (0.38) MAPTALDH1A1L3MBTL1LMNARARB
SCHEMBL15499161 0.86 MAPT (0.60) MAPTALDH1A1MMP2MMP3RARB
SCHEMBL15499150 0.83 KDM4E (0.42) MAPTALDH1A1L3MBTL1LMNA
SCHEMBL15499142 0.80 KDM1A (0.42) MAPTALDH1A1KDM1AL3MBTL1LMNA
SCHEMBL15496876 0.80 POLB (0.41) MAPTALDH1A1L3MBTL1LMNARARB
SCHEMBL15496886 0.80 MAPT (0.41) MAPTALDH1A1L3MBTL1LMNARARB
SCHEMBL15499141 0.79 MAPT (0.48) MAPTALDH1A1MMP2MMP3KDM1A

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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