SCHEMBL15499142

SCHEMBL15499142

COc1cc(-c2ccc(-c3ccc(C(=O)c4ccc(OCCOCCOC(C)=O)c(OCCOCCOC(C)=O)c4)cc3)c(OC)c2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.42
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ F10 P00742 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ CTSA P10619 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL15496885 0.92 PDE4A (0.43) MAPTALDH1A1LMNAL3MBTL1PDE4A
SCHEMBL15499143 0.92 KDM1A (0.41) KDM1AROCK2ROCK1F10MAPT
SCHEMBL15499141 0.92 MAPT (0.48) KDM1AROCK2ROCK1MAPTALDH1A1
SCHEMBL15499160 0.89 MAPT (0.45) KDM1AF10MAPTALDH1A1LMNA
SCHEMBL15496872 0.89 ALDH1A1 (0.43) MAPTALDH1A1LMNAL3MBTL1PDE4A
SCHEMBL15496860 0.88 PDE4A (0.41) MAPTALDH1A1LMNAL3MBTL1PDE4A
SCHEMBL15499131 0.85 MCHR1 (0.43) ROCK2ROCK1MAPTALDH1A1PDE4A
SCHEMBL15496887 0.84 MAPT (0.48) MAPTALDH1A1LMNAL3MBTL1PDE4A
SCHEMBL15496886 0.83 MAPT (0.41) MAPTALDH1A1LMNAL3MBTL1PDE4A
SCHEMBL15499140 0.82 MAPT (0.48) KDM1AROCK2ROCK1MAPTALDH1A1

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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