SCHEMBL22974925

SCHEMBL22974925

O=C1CCC(=O)N1O[Al](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.47
▸ PARL Q9H300 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ PLA2G7 Q13093 1/20 0.31
▸ PLCG1 P19174 1/20 0.31

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
SCHEMBL11765374 0.74 ALOX12 (0.55) ALOX12PARLALDH1A1GFERKMT2A
SCHEMBL599721 0.70 LTA4H (0.50) ALDH1A1
Cyclohexanone SCHEMBL2678292 0.69 ALDH1A1 (0.44) ALOX12ALDH1A1KMT2A
SCHEMBL22974930 0.67 POLB (0.32) PARL
SCHEMBL20248861 0.67 ALOX12 (0.70) ALOX12PARLALDH1A1GFERKMT2A
SCHEMBL22974934 0.67 ALOX12 (0.47) ALOX12PARLALDH1A1GFERKMT2A
SCHEMBL22974947 0.67 ALOX12 (0.47) ALOX12PARLALDH1A1GFERKMT2A
Diphenylether SCHEMBL1205239 0.66 ALDH1A1 (0.46) ALOX12PARLALDH1A1GFERKMT2A
SCHEMBL19341896 0.66 ALOX12 (0.46) ALOX12PARLALDH1A1GFERKMT2A
SCHEMBL16684237 0.66 ALOX12 (0.46) ALOX12PARLALDH1A1GFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778715-B1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD TORAY INDUSTRIES (JP) 2022-05-25 — — EP disclosed
US-20210371599-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD TORAY INDUSTRIES, INC. (JP) 2021-12-02 — — US disclosed
EP-3778715-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD Toray Industries, Inc. (JP) 2021-02-17 — — EP disclosed
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