SCHEMBL15499143

SCHEMBL15499143

COc1cc(-c2ccc(-c3ccc(C(=O)c4cc(OCCOCCOC(C)=O)c(OCCOCCOC(C)=O)c(OCCOCCOC(C)=O)c4)cc3)c(OC)c2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ F10 P00742 2/20 0.35
▸ RARB P10826 1/20 0.35
▸ VNN1 O95497 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 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
SCHEMBL15496886 0.92 MAPT (0.41) MAPTLMNAL3MBTL1ALDH1A1RARB
SCHEMBL15499142 0.92 KDM1A (0.42) KDM1AROCK2ROCK1MAPTLMNA
SCHEMBL15499141 0.91 MAPT (0.48) KDM1AROCK2ROCK1MAPTLMNA
SCHEMBL15499159 0.90 MAPT (0.44) KDM1AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL15496871 0.89 ALDH1A1 (0.42) MAPTLMNAL3MBTL1ALDH1A1RARB
SCHEMBL15499128 0.85 AKR1C3 (0.42) ROCK2ROCK1MAPTLMNAL3MBTL1
SCHEMBL15496885 0.83 PDE4A (0.43) MAPTLMNAL3MBTL1ALDH1A1RARB
SCHEMBL15496887 0.83 MAPT (0.48) MAPTLMNAL3MBTL1ALDH1A1RARB
SCHEMBL15499140 0.82 MAPT (0.48) KDM1AROCK2ROCK1MAPTLMNA
SCHEMBL15496884 0.81 LMNA (0.40) MAPTLMNAL3MBTL1ALDH1A1RARB

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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