SCHEMBL25878102

SCHEMBL25878102

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7c6oc6ccccc67)ccc4O5)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
GGPS1 O95749 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
PRKDC P78527 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
SCHEMBL25877312 0.92 ALOX5 (0.35) ALOX5GGPS1ALDH1A1MAPT
SCHEMBL25877813 0.92 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL25878103 0.92 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL25874830 0.92 ALOX5 (0.46) ALOX5GGPS1PTGES2PRKDC
SCHEMBL25878101 0.91 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL25877159 0.89 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL25877921 0.88 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL25875195 0.88 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDC
SCHEMBL25877918 0.87 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL25875479 0.86 ALOX5 (0.42) ALOX5GGPS1PTGES2PRKDC

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