SCHEMBL15499129

SCHEMBL15499129

COc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)c(OC)c2)ccc1-c1ccc(C(=O)c2ccc(OCCOCCOC(C)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ CYP1A1 P04798 5/20 0.41
▸ CYP1B1 Q16678 5/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C8 P10632 1/20 0.38

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
SCHEMBL15496887 0.92 MAPT (0.48) MAPTLMNAL3MBTL1BACE1KDM4E
SCHEMBL15499127 0.91 KDM4E (0.49) AKR1C3AKR1C2MAPTLMNAL3MBTL1
SCHEMBL15499131 0.91 MCHR1 (0.43) AKR1C3AKR1C2MAPTPTGDR2BACE1
SCHEMBL15499128 0.90 AKR1C3 (0.42) AKR1C3AKR1C2MAPTLMNAL3MBTL1
SCHEMBL15496873 0.88 LMNA (0.45) MAPTLMNAL3MBTL1BACE1KDM4E
SCHEMBL15499146 0.87 MAOB (0.48) CYP1A1CYP1B1KMT2AMAOBMEN1
SCHEMBL15499141 0.85 MAPT (0.48) MAPTLMNAL3MBTL1CYP1A1CYP1B1
SCHEMBL15496885 0.82 PDE4A (0.43) MAPTLMNAL3MBTL1KMT2AALDH1A1
SCHEMBL15496886 0.81 MAPT (0.41) MAPTLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL15499149 0.79 KDM4E (0.45) MAPTBACE1KDM4EKMT2AHTT

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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