SCHEMBL22388293

SCHEMBL22388293

c1ccc([PH](CCc2ccc([PH](c3ccccc3)(c3ccccc3)C3CC3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ACHE P22303 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
SCHEMBL13086387 0.79 ALDH1A1 (0.46) MAOAMAOB
SCHEMBL7652892 0.79 MEN1 (0.31) MEN1KMT2A
SCHEMBL9480596 0.71
SCHEMBL8403993 0.71 OPRM1 (0.34) OPRM1OPRD1OPRK1ACHE
SCHEMBL8299920 0.71 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL8675805 0.70 PPARA (0.46) MEN1KMT2A
Oxalic Acid SCHEMBL7627145 0.70 TAAR1 (0.35) MEN1KMT2A
SCHEMBL23563764 0.69 IDO1 (0.34) MEN1KMT2A
Bromide SCHEMBL5723575 0.69 GAA (0.33) MEN1KMT2A
SCHEMBL2445014 0.69 IDO1 (0.34) MEN1KMT2A

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-20200277502-A1 Coating Composition, Organic Light-Emitting Diode Using Same, and Method for Preparing Same LG CHEM, LTD. (KR) 2020-09-03 US disclosed