SCHEMBL29657696

SCHEMBL29657696

CCCCCC(N)(CCCC)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.47
SMPD1 P17405 4/20 0.45
CES2 O00748 1/20 0.41
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
GGPS1 O95749 3/20 0.39

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
SCHEMBL8173375 0.98 FDPS (0.48) FDPSSMPD1CES2ARG1ARG2
SCHEMBL27961818 0.95 FDPS (0.50) FDPSSMPD1CES2GGPS1
SCHEMBL10291583 0.91 FDPS (0.47) FDPSSMPD1CES2GGPS1
SCHEMBL3806647 0.91 FDPS (0.43) FDPSSMPD1CES2ARG1ARG2
SCHEMBL27538248 0.87 FDPS (0.47) FDPSSMPD1CES2ARG1ARG2
SCHEMBL28820015 0.87 FDPS (0.47) FDPSSMPD1CES2ARG1ARG2
SCHEMBL6235982 0.86 ARG1 (0.44) FDPSSMPD1CES2ARG1ARG2
SCHEMBL6238533 0.86 ARG1 (0.44) FDPSSMPD1CES2ARG1ARG2
SCHEMBL28758969 0.85 ALDH1A1 (0.52)
SCHEMBL6129347 0.82 ARG2 (0.53) FDPSSMPD1ARG1ARG2

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-3972984-A1 PROCESS FOR THE PREPARATION OF GALNAC PHOSPHORAMIDITE EPIMERS F. Hoffmann-La Roche AG (CH) 2022-03-30 EP disclosed