SCHEMBL13172453

SCHEMBL13172453

CC(C)(C)OC(=O)Oc1ccc(COC(=O)C(Cl)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ PDK1 Q15118 2/20 0.40
▸ LMNA P02545 6/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALPG P10696 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL6854163 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHTTGAASMN1; SMN2
SCHEMBL23169316 0.73 ALDH1A1 (0.43) ALDH1A1LMNAHTTGAAFFAR1
SCHEMBL6330182 0.72 ABCB1 (0.50) ALDH1A1HTTPOLB
SCHEMBL5517515 0.72 GRIN2D (0.43) ALDH1A1LMNAHTTGAASMN1; SMN2
SCHEMBL23176772 0.71 ALDH1A1 (0.41) ALDH1A1LMNAHTTGAAFFAR1
SCHEMBL23169233 0.71 ALDH1A1 (0.41) ALDH1A1LMNAHTTGAAFFAR1
SCHEMBL11225857 0.71 ALDH1A1 (0.51) ALDH1A1LMNAHTTGAASMN1; SMN2
SCHEMBL27090240 0.71 BACE1 (0.40) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL9172865 0.70 NPC1 (0.41) ALDH1A1HTTFFAR1SMN1; SMN2RAB9A
SCHEMBL12509473 0.70 ALDH1A1 (0.46) ALDH1A1LMNAHTTGAAFFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100239962-A1 TWO-PHOTON ABSORBING OPTICAL RECORDING MATERIAL AND TWO-PHOTON ABSORBING OPTICAL RECORDING AND REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-7771915-B2 Two-photon absorbing optical recording material and two-photon absorbing optical recording and reproducing method FUJIFILM CORPORATION (JP) 2010-08-10 — — US disclosed
US-7588863-B2 Hologram recording method and hologram recording material FUJIFILM CORPORATION (JP) 2009-09-15 — — US disclosed
US-7582390-B2 Two-photon absorbing polymerization method, two-photon absorbing optical recording material and two-photon absorbing optical recording method FUJIFILM CORPORATION (JP) 2009-09-01 — — US disclosed
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