SCHEMBL20403979

SCHEMBL20403979

FC(F)(F)c1c(OC2CCC(C(F)(F)F)CC2)ccc2c(CN3CCCCC3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.52
LPAR1 Q92633 1/20 0.38
ACHE P22303 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
GRM2 Q14416 1/20 0.34
POLB P06746 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
SCHEMBL20403948 0.90 ACHE (0.46) ENPP2ACHEMEN1KMT2AALDH1A1
SCHEMBL15564401 0.86 ENPP2 (0.70) ENPP2LPAR1S1PR5
SCHEMBL15564399 0.86 ENPP2 (0.70) ENPP2LPAR1S1PR5
SCHEMBL15599913 0.84 ENPP2 (0.49) ENPP2LPAR1ACHE
SCHEMBL15564772 0.84 ENPP2 (0.49) ENPP2LPAR1ACHE
SCHEMBL15565749 0.84 ENPP2 (0.49) ENPP2LPAR1S1PR5GAAMEN1
SCHEMBL16860089 0.84 ENPP2 (0.49) ENPP2LPAR1S1PR5GAAMEN1
SCHEMBL15565216 0.84 ENPP2 (0.49) ENPP2LPAR1S1PR5GAAMEN1
SCHEMBL15565364 0.83 ENPP2 (0.48) ENPP2LPAR1S1PR5GRM2
SCHEMBL15599971 0.83 ENPP2 (0.48) ENPP2LPAR1S1PR5GRM2

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-2879673-B1 1,5,6-substituted naphthalene derivatives as sphingosine 1 phosphate (S1P) receptor and/or autotaxin (ATX) modulators for treating inflammatory and autoimmune disorders BIOGEN MA INC (US) 2018-07-25 EP disclosed