SCHEMBL25867822

SCHEMBL25867822

CC1(C)c2ccccc2Oc2cccc(-c3ccc4c(c3)C(C)(C)c3c-4ccc4ccccc34)c21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
PDK2 Q15119 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
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

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
SCHEMBL25850630 0.92 PDK2 (0.31) MEN1KMT2AENPP3ENPP1PDK2
SCHEMBL25867533 0.89 MEN1 (0.33) MEN1KMT2AENPP3ENPP1PDK2
SCHEMBL25867006 0.89 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25867821 0.89 CHRNA1 (0.34) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25867760 0.89 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25867213 0.88 ENPP3 (0.33) MEN1KMT2AENPP3ENPP1PDK2
SCHEMBL25868017 0.88 MEN1 (0.32) MEN1KMT2APDK2KDM4EMAPT
SCHEMBL25867824 0.87 KDM4E (0.31) MEN1KMT2AENPP3ENPP1KDM4E
SCHEMBL25849428 0.86 PDK2 (0.36) PDK2CTSDBACE1
SCHEMBL25867823 0.85 PDK2 (0.35) PDK2KDM4EMAPK1ATMCTSD

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