SCHEMBL20193363

SCHEMBL20193363

CCC1CC2CCCC(NC(=O)C(F)(F)S(=O)(=O)OC(C(=O)c3ccccc3)C(F)(F)F)(C1)C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL19863253 0.82 FAAH (0.47) EPHX1EPHX2FAAH
SCHEMBL20191354 0.75 OPRK1 (0.32) EPHX1EPHX2
SCHEMBL19862494 0.74 FAAH (0.48) EPHX1EPHX2FAAH
SCHEMBL19866621 0.69 HDAC8 (0.38)
SCHEMBL19863277 0.68 ALDH1A1 (0.39)
SCHEMBL19863256 0.67 SRC (0.41)
SCHEMBL19863274 0.66 FAAH (0.48) EPHX1EPHX2FAAH
SCHEMBL19863275 0.66 FAAH (0.48) EPHX1EPHX2FAAH
SCHEMBL19863273 0.66 FAAH (0.50) EPHX1EPHX2FAAH
SCHEMBL19863272 0.65 PDK1 (0.42)

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
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed