SCHEMBL25877436

SCHEMBL25877436

CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccc4c5c(cccc35)-c3cc(-c5ccc6oc7ccccc7c6c5)ccc3O4)cccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL25877159 0.95 ALDH1A1 (0.32) ALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL25877319 0.93 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL25877813 0.93 ALDH1A1 (0.35) ALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL25878103 0.93 ALDH1A1 (0.35) ALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL25877224 0.92 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL25877921 0.91 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL25877163 0.90 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL25877312 0.90 ALOX5 (0.35) ALDH1A1MAPT
SCHEMBL25877075 0.88 KDM4E (0.34) HSP90AA1HSP90AB1
SCHEMBL25878101 0.87 ALDH1A1 (0.33) ALDH1A1MAPT

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
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed