SCHEMBL16847675

SCHEMBL16847675

CCCCOC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.44
▸ PTGS2 P35354 7/20 0.44
▸ MGLL Q99685 5/20 0.44
▸ FAAH O00519 3/20 0.44
▸ SPHK1 Q9NYA1 6/20 0.39
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 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
SCHEMBL22220046 0.87 MGLL (0.41) PTGS1PTGS2MGLLFAAHSPHK1
SCHEMBL16834912 0.83 DRD2 (0.39) PTGS1PTGS2MGLLFAAHOPRM1
SCHEMBL18100026 0.82 MGLL (0.44) PTGS1PTGS2MGLLFAAHSPHK1
SCHEMBL17813682 0.81 MGLL (0.36) PTGS1PTGS2MGLLFAAHSPHK1
SCHEMBL16834889 0.81 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHSPHK1
SCHEMBL19666091 0.80 MGLL (0.37) PTGS1PTGS2MGLLFAAHSPHK1
SCHEMBL17813686 0.77 OPRM1 (0.34) PTGS1PTGS2MGLLFAAHOPRM1
SCHEMBL23889659 0.77 DRD2 (0.49) PTGS1PTGS2MGLLFAAHOPRM1
SCHEMBL22698762 0.77 MGLL (0.41) PTGS1PTGS2MGLLFAAHSPHK1
SCHEMBL19061723 0.72 MGLL (0.44) PTGS1PTGS2MGLLFAAHOPRM1

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
WO-2016205176-A1 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2016-12-22 — — WO disclosed
WO-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 — — WO disclosed
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