SCHEMBL25850248

SCHEMBL25850248

CC1(c2ccccc2)c2ccccc2-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL25853289 0.89 AHR (0.33) AHR
SCHEMBL25853205 0.86 AHR (0.30) AHR
SCHEMBL25848988 0.86 MEN1 (0.38) AHRKDM4EMEN1LMNAMAPT
SCHEMBL25856760 0.86 MEN1 (0.40) AHRKDM4EMEN1LMNAMAPT
SCHEMBL25849053 0.84 KDM4E (0.31) AHRKDM4EMEN1LMNAMAPT
SCHEMBL25849319 0.84 PDK2 (0.32) AHR
SCHEMBL25865538 0.83 KDM4E (0.36) AHRKDM4EMEN1LMNAMAPT
SCHEMBL25856606 0.83 MEN1 (0.43) AHRKDM4EMEN1LMNAMAPT
SCHEMBL25849157 0.82 MAPT (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25853291 0.81 CFTR (0.33) AHRKDM4ELMNAMAPTSMN1; SMN2

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