SCHEMBL22706203

SCHEMBL22706203

c1ccc(-c2c3cccc(-c4ccccc4-c4cccc5c4Oc4ccccc4O5)c3cc3c(-c4ccccc4-c4cccc5c4Oc4ccccc4O5)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.39
GPR84 Q9NQS5 3/20 0.35
NTSR1 P30989 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 3/20 0.31
ESR2 Q92731 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
ENPP1 P22413 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL22706401 0.83 DRD1 (0.35) GPR84
SCHEMBL22706037 0.81 DRD1 (0.36) GPR84
SCHEMBL22706268 0.81 GPR84 (0.31) GPR84
SCHEMBL22707594 0.80 GPR84 (0.30) GPR84
SCHEMBL22706040 0.80 GPR84 (0.30) GPR84
SCHEMBL22708020 0.80 DRD1 (0.35) GPR84
SCHEMBL22706649 0.80 DRD1 (0.35) GPR84
SCHEMBL22707216 0.79 DRD1 (0.35)
SCHEMBL22706153 0.79 PDK2 (0.32)
SCHEMBL22706650 0.79

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed