SCHEMBL20204810

SCHEMBL20204810

CCCOCCCN[S+]([O-])c1cccc(OCC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
MTNR1A P48039 1/20 0.35
DUT P33316 8/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL4568907 0.72 TLR4 (0.50) TLR4TLR2KMT2AACACBACACA
SCHEMBL20204816 0.71 TLR4 (0.47) TLR4TLR2ACACBACACANR1H4
SCHEMBL20201901 0.70 DUT (0.49) TLR4TLR2DUT
SCHEMBL4568816 0.69 TLR4 (0.46) TLR4TLR2
SCHEMBL25261825 0.69 TLR4 (0.48) TLR4TLR2
SCHEMBL25822083 0.69 HTR1B (0.54) TLR4TLR2ACACBACACA
SCHEMBL4568801 0.67 TLR4 (0.48) TLR4TLR2KMT2A
SCHEMBL4568813 0.67 TLR4 (0.51) TLR4TLR2KMT2A
SCHEMBL25826082 0.67 TLR4 (0.44) TLR4TLR2
SCHEMBL4568768 0.66 TLR4 (0.53) TLR4TLR2KMT2A

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed