SCHEMBL25850798

SCHEMBL25850798

CC1(C)c2ccccc2Oc2cc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc21

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25850863 0.92 KDM4E (0.31)
SCHEMBL25867826 0.91 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25850392 0.91 MEN1 (0.30) MEN1KMT2A
SCHEMBL25850633 0.91 PDK2 (0.31) MEN1KMT2A
SCHEMBL25867949 0.91 PDK2 (0.31) MEN1KMT2A
SCHEMBL25853726 0.89 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25850861 0.88 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25858413 0.87 CA12 (0.30)
SCHEMBL25850630 0.87 PDK2 (0.31) MEN1KMT2A
SCHEMBL25850799 0.86 MEN1 (0.34) MEN1KMT2A

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