SCHEMBL25848906

SCHEMBL25848906

CC1(C)c2ccccc2-c2c(-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
DRD1 P21728 2/20 0.31
MLNR O43193 1/20 0.30
NR1I2 O75469 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 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
SCHEMBL25847571 0.88 KDM4E (0.36) KDM4EMAPK1ATM
SCHEMBL25848892 0.87 KDM4E (0.35) KDM4EMAPK1ATMDRD1MLNR
SCHEMBL25847499 0.84 KDM4E (0.33) KDM4EMAPK1ATM
SCHEMBL25849536 0.84
SCHEMBL25871686 0.82 CTSD (0.30)
SCHEMBL25848903 0.81 PDK2 (0.31) DRD1
SCHEMBL25876656 0.81 PDK2 (0.33) DRD1
SCHEMBL25849424 0.81 MAPK1 (0.44) KDM4EMAPK1ATM
SCHEMBL25849636 0.81 DRD1 (0.32) KDM4EDRD1
SCHEMBL25851815 0.81 DRD1 (0.32) KDM4EMAPK1ATMDRD1

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