SCHEMBL13063789

SCHEMBL13063789

CCc1cc(C(C)(C)c2ccc(OC(C)(CC)CC)c(CC)c2)ccc1OC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RORC P51449 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KLF10 Q13118 1/20 0.35
VDR P11473 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13328519 0.87 VDR (0.42) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13063790 0.85 CYP2C19 (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13063792 0.82 CYP2C19 (0.39) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13758548 0.78 VDR (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13708508 0.77 VDR (0.40) KMT2ARORCESR1VDRATM
SCHEMBL14679468 0.75 ESR1 (0.34) KMT2AMEN1L3MBTL1ESR1ESR2
SCHEMBL14173149 0.73 KLF10 (0.39) KMT2AL3MBTL1RORCESR1ESR2
SCHEMBL13061729 0.73 VDR (0.44) KMT2AMEN1HTTESR1VDR
SCHEMBL16298983 0.73 ALOX15 (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13063796 0.73 ALOX15 (0.47) ALOX15ADRB2ADRA2ADRD2ADRA2C

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-20100329748-A1 DEVELOPING DEVICE AND IMAGE FORMING APPARATUS USING THE DEVELOPING DEVICE RICOH COMPANY, LTD. (JP) 2010-12-30 US disclosed