SCHEMBL25878004

SCHEMBL25878004

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c6c(cccc46)-c4ccc(-c6ccccc6)cc4O5)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PDK2 Q15119 8/20 0.35
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL25877918 0.94 ALDH1A1 (0.35) ALDH1A1MAPTPDK2RXRARXRB
SCHEMBL25868937 0.92 KDM4E (0.34) ALDH1A1MAPTPDK2GPR84
SCHEMBL25877810 0.91 PDK2 (0.33) ALDH1A1MAPTPDK2GPR84
SCHEMBL25874826 0.91 PDK2 (0.39) PDK2
SCHEMBL25877920 0.88 GPR84 (0.34) GPR84
SCHEMBL25877163 0.87 ALDH1A1 (0.32) ALDH1A1MAPTPDK2RXRARXRB
SCHEMBL25877156 0.87 GPR84 (0.31) ALDH1A1MAPTGPR84
SCHEMBL25869941 0.86 KDM4E (0.35) ALDH1A1MAPT
SCHEMBL25875186 0.86 KDM4E (0.38) PDK2
SCHEMBL25875391 0.86 PDK2 (0.36) MAPTPDK2

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