SCHEMBL2486962

SCHEMBL2486962

CCCCCCCCCCCCCCC(C(=O)NC(C)O)S(=O)(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
GPR84 Q9NQS5 7/20 0.40
FFAR1 O14842 1/20 0.40
FAAH O00519 2/20 0.39
EPHX1 P07099 1/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL3089214 0.81 CASP2 (0.47) FAAHEPHX1
SCHEMBL28705417 0.80 MMP9 (0.55) TP53GPR84FFAR1MMP9MMP13
SCHEMBL28935283 0.80 MMP9 (0.55) TP53GPR84FFAR1MMP9MMP13
SCHEMBL28694225 0.80 MMP9 (0.55) TP53GPR84FFAR1MMP9MMP13
SCHEMBL28935319 0.80 MMP9 (0.55) TP53GPR84FFAR1MMP9MMP13
SCHEMBL4853542 0.78 MAPT (0.40) TP53FAAHMEN1KMT2AMAPK1
SCHEMBL21272736 0.78 TP53 (0.47) TP53GPR84FFAR1FFAR4ACE2
SCHEMBL2489271 0.77 MMP1 (0.40) TP53GPR84FFAR1EPHX1MMP9
SCHEMBL2484971 0.77 DRD3 (0.39) GPR84FFAR1FAAHMMP9MMP13
SCHEMBL3824079 0.76 MAPT (0.41) TP53FAAHMEN1KMT2AMAPK1

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