SCHEMBL363415

SCHEMBL363415

Cc1cc([C@@](CC=O)(c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.42
TLR7 Q9NYK1 13/20 0.42
TLR9 Q9NR96 3/20 0.35
MAP3K12 Q12852 1/20 0.35
KDR P35968 1/20 0.34
SYK P43405 1/20 0.34
TP53 P04637 1/20 0.34
PRMT5 O14744 1/20 0.34
RORC P51449 1/20 0.33
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL364225 0.91 TLR8 (0.39) TLR8TLR7TLR9KDRSYK
SCHEMBL364904 0.80 TLR8 (0.38) TLR8TLR7TP53CDK9CCNT1
SCHEMBL362899 0.78 TLR8 (0.40) TLR8TLR7TLR9MAP3K12SYK
SCHEMBL361659 0.78 MAPT (0.40) RORC
SCHEMBL15949082 0.77
SCHEMBL364417 0.77
SCHEMBL363561 0.76 AHR (0.37) KDR
SCHEMBL363791 0.76 AHR (0.37) KDR
SCHEMBL364583 0.76 TLR9 (0.38) TLR8TLR7TLR9
SCHEMBL363183 0.75 KIF11 (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed