SCHEMBL9575694

SCHEMBL9575694

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)NCCCl)OC(=O)NC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ACHE P22303 11/20 0.44
TLR2 O60603 2/20 0.43

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
SCHEMBL9575818 0.89 ACHE (0.46) ACHE
SCHEMBL9575848 0.86 LPAR6 (0.48) ACHE
SCHEMBL9575697 0.83 ALDH1A1 (0.55) EPHX1
SCHEMBL9575816 0.82 LPAR5 (0.49) ACHE
SCHEMBL10831321 0.82 EPHX1 (0.51) EPHX1TLR2
SCHEMBL10831323 0.80 EPHX1 (0.50) EPHX1TLR2
SCHEMBL9671738 0.78 PRKCA (0.50) EPHX1ACHETLR2
SCHEMBL9575888 0.77 EPHX1 (0.53) EPHX1TLR2
SCHEMBL10832349 0.77 EPHX1 (0.53) EPHX1TLR2
SCHEMBL30866253 0.77 EPHX1 (0.53) EPHX1TLR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
US-4731373-A BLOOD PLATELET ACTIVATING FACTOR HOFFMAN-LA ROCHE INC. (US) 1988-03-15 US disclosed