SCHEMBL27488193

SCHEMBL27488193

CC(C)(C)c1c[c]ccc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
LTA4H P09960 3/20 0.37
TSHR P16473 1/20 0.37
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
HTR2A P28223 1/20 0.33
TSPO P30536 1/20 0.32
HRH1 P35367 1/20 0.32
CTNNB1 P35222 1/20 0.32
RAF1 P04049 1/20 0.32
EZH2 Q15910 1/20 0.32

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
SCHEMBL5583698 0.83 AR (0.37) RIPK1LTA4HTSHRLMNAGAA
SCHEMBL8569226 0.79 EZH2 (0.40) RIPK1TSHRL3MBTL1ALDH1A1MAPK1
SCHEMBL1451604 0.77 LTA4H (0.46) RIPK1LTA4HTSHRSLC6A4SLC6A2
SCHEMBL278540 0.77 RIPK1 (0.53) RIPK1LTA4HTSHRSLC6A4SLC6A2
SCHEMBL5583829 0.77 LTA4H (0.41) RIPK1LTA4HTSHRSLC6A4SLC6A2
SCHEMBL2097487 0.76 LTA4H (0.37) RIPK1LTA4HTSHRSLC6A4SLC6A2
SCHEMBL996826 0.76 LMNA (0.38) ALDH1A1LMNAGAAHTR2A
SCHEMBL6305394 0.75 ALDH1A1 (0.53) RIPK1LTA4HTSHRSLC6A4SLC6A2
SCHEMBL5448722 0.75 ALDH1A1 (0.53) RIPK1LTA4HTSHRSLC6A4SLC6A2
SCHEMBL1895338 0.74 LTA4H (0.42) RIPK1LTA4HTSHRSLC6A4SLC6A2

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
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed