SCHEMBL25852017

SCHEMBL25852017

CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(ccc5ccccc35)O4)c21

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.31
BACE1 P56817 2/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25865252 0.91 PDK2 (0.32) ENPP3ENPP1MEN1KMT2AKDM4E
SCHEMBL25852349 0.90 PDK2 (0.32) ENPP3ENPP1MEN1KMT2AKDM4E
SCHEMBL25851808 0.89 CTSD (0.30) CTSDBACE1ENPP3ENPP1
SCHEMBL25853717 0.88 PDK2 (0.33) CTSDBACE1
SCHEMBL25850630 0.88 PDK2 (0.31) ENPP3ENPP1MEN1KMT2A
SCHEMBL25851324 0.86 PDK2 (0.32) CTSDBACE1
SCHEMBL25851817 0.86 CHRNA1 (0.32)
SCHEMBL25865248 0.86 PDK2 (0.34) CTSDBACE1ENPP3ENPP1KDM4E
SCHEMBL25865146 0.86 PDK2 (0.32) ENPP3ENPP1MEN1KMT2AKDM4E
SCHEMBL25853628 0.86 PDK2 (0.32) ENPP3ENPP1MEN1KMT2AKDM4E

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