SCHEMBL20446016

SCHEMBL20446016

C=CC(=O)NCCCCC(N)C(=O)O.C=CC(=O)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.51
DDAH1 O94760 2/20 0.51
GSR P00390 1/20 0.48
OTC P00480 1/20 0.47
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44
TGM2 P21980 7/20 0.43
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL20445992 1.00 ZDHHC20 (0.51) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL6817462 1.00 ZDHHC20 (0.51) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL10507212 1.00 ZDHHC20 (0.51) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL20446014 0.98 DDAH1 (0.50) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL19463086 0.95 DDAH1 (0.56) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL19463087 0.95 DDAH1 (0.56) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL19463174 0.87 ALDH1A1 (0.45) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL19463173 0.87 ALDH1A1 (0.45) ZDHHC20ZDHHC2DDAH1GSROTC
SCHEMBL20446015 0.85 TGM2 (0.50) ZDHHC20ZDHHC2DDAH1GSRTGM2
SCHEMBL20704725 0.84 GSR (0.50) DDAH1GSROTCARG2ARG1

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-3356433-A1 NEW POLYMER MATERIALS FOR CONTACT LENS APPLICATIONS CIS Pharma AG (CH) 2018-08-08 EP disclosed