SCHEMBL12744382

SCHEMBL12744382

CCC1(C)OC(=O)C(=C/C=C(C)/C=C/C2=C(O)OC3(CCC4(CC3)OC(=O)C(=C/C=C(C)/C=C/C3=C(OC)OC5(CCC6(CC5)OC(=O)C(=C/C=C(C)/C=C/C5=C(O)OC(C)(CC)OC5=O)C(=O)O6)OC3=O)C(=O)O4)OC2=O)C(=O)O1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12715229 0.92 — —
SCHEMBL12715202 0.84 — —
SCHEMBL12216663 0.80 ALDH1A1 (0.37) KDM4EALDH1A1
SCHEMBL14442045 0.78 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL12715224 0.78 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL12715206 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12744383 0.77 — —
SCHEMBL12715209 0.77 APP (0.34) —
SCHEMBL12715131 0.77 APP (0.34) —
SCHEMBL12715235 0.77 — —

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-7924697-B2 Optical information recording medium, image-recording method and method of utilizing a dye FUJIFILM CORPORATION (JP) 2011-04-12 — — US disclosed
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