SCHEMBL2484971

SCHEMBL2484971

CCCCCCCCCCCCCCC(C(=O)NCC(O)CO)S(=O)(=O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GPR84 Q9NQS5 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
LMNA P02545 1/20 0.36
ASAH1 Q13510 1/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL2484974 0.85 GPR84 (0.40) DRD3SLC6A3GPR84MEN1KMT2A
SCHEMBL14655966 0.81 FFAR4 (0.45) DRD3SLC6A3GPR84MEN1KMT2A
SCHEMBL11486933 0.78 GNAI3 (0.41) GPR84GNAI3GNAO1GNAI1FFAR1
SCHEMBL2486962 0.77 TP53 (0.42) GPR84MEN1KMT2AFAAHGNAI3
SCHEMBL5058539 0.77 FAAH (0.43) DRD3SLC6A3GPR84MEN1KMT2A
SCHEMBL28935283 0.76 MMP9 (0.55) GPR84GNAI3GNAO1GNAI1FFAR1
SCHEMBL28705417 0.76 MMP9 (0.55) GPR84GNAI3GNAO1GNAI1FFAR1
SCHEMBL28694225 0.76 MMP9 (0.55) GPR84GNAI3GNAO1GNAI1FFAR1
SCHEMBL28935319 0.76 MMP9 (0.55) GPR84GNAI3GNAO1GNAI1FFAR1
SCHEMBL7920334 0.75 MEN1 (0.46) DRD3SLC6A3GPR84MEN1KMT2A

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-2380955-A1 CLEANSER COMPOSITION, PROCESS FOR PRODUCING SAME, AMPHIPHILIC COMPOUND, AND COMPOSITION Lion Corporation (JP) 2011-10-26 EP disclosed