SCHEMBL7209879

SCHEMBL7209879

CCCC=Cc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
TLR8 Q9NR97 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.38
ALOX12 P18054 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.33
SRC P12931 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
SCHEMBL457253 0.85 PDE5A (0.48) PDE5AALOX5PTGS1PTGS2TLR8
SCHEMBL9211406 0.84 ALOX5 (0.50) PDE5AALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9211398 0.84 ALOX5 (0.50) PDE5AALOX5PTGS1PTGS2ALDH1A1
SCHEMBL14401529 0.81 PDE5A (0.49) PDE5AALOX5PTGS1PTGS2TLR8
SCHEMBL22791603 0.81 TLR8 (0.39) PDE5AALOX5PTGS1PTGS2TLR8
SCHEMBL23550052 0.81 TLR8 (0.39) PDE5AALOX5PTGS1PTGS2TLR8
SCHEMBL21674149 0.80 ALOX5 (0.44) PDE5AALOX5PTGS1PTGS2ALDH1A1
SCHEMBL1610115 0.80 ALOX5 (0.42) PDE5AALOX5PTGS1PTGS2ALDH1A1
SCHEMBL11333581 0.78 ALOX5 (0.49) PDE5AALOX5PTGS1PTGS2ALDH1A1
SCHEMBL2089038 0.78 ALOX5 (0.49) PDE5AALOX5PTGS1PTGS2ALDH1A1

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
EP-0933376-B1 Silanyl-triazines as light screening compositions HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed