SCHEMBL24749052

SCHEMBL24749052

CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)c4ccccc4-c4cccc5c4sc4ccccc45)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PARP14 Q460N5 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL24748974 0.95 ALOX5 (0.32) ALOX5S1PR4S1PR5
SCHEMBL24751059 0.94 ALOX5 (0.37) ALOX5S1PR4S1PR5
SCHEMBL24749481 0.92 ALOX5 (0.36) ALOX5PARP14
SCHEMBL23233174 0.92 ALOX5 (0.35) ALOX5PARP14
SCHEMBL24965637 0.92 ALOX5 (0.36) ALOX5PARP14S1PR4S1PR5
SCHEMBL24965636 0.92 ALOX5 (0.36) ALOX5PARP14S1PR4S1PR5
SCHEMBL23233175 0.92 ALOX5 (0.34) ALOX5PARP14
SCHEMBL24747899 0.89 ALOX5 (0.40) ALOX5PARP14S1PR4S1PR5
SCHEMBL24749046 0.89 ALOX5 (0.40) ALOX5PARP14S1PR4S1PR5
SCHEMBL24749968 0.89 ALOX5 (0.40) ALOX5PARP14S1PR4S1PR5

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-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed