SCHEMBL30433129

SCHEMBL30433129

NC(=O)CNCCCC[C@H](N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
GSR P00390 1/20 0.52
BLM P54132 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
PMP22 Q01453 1/20 0.48
DDAH1 O94760 2/20 0.47
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
NOS2 P35228 6/20 0.46
NOS1 P29475 4/20 0.46
NOS3 P29474 3/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 2/20 0.46
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL2548650 0.87 GSR (0.53) GSRDDAH1ARG2ARG1NOS2
SCHEMBL43621 0.87 GSR (0.53) GSRDDAH1ARG2ARG1NOS2
SCHEMBL29485083 0.86 GSR (0.61) GSRBLMDDAH1ARG2ARG1
Water SCHEMBL380639 0.85 GSR (0.52) GSRDDAH1ARG2ARG1NOS2
SCHEMBL13747854 0.85 GSR (0.55) GSRBLMDDAH1ARG2ARG1
SCHEMBL11579098 0.85 GSR (0.55) GSRBLMDDAH1ARG2ARG1
SCHEMBL28717409 0.84 ARG2 (0.50) GSRDDAH1ARG2ARG1NOS2
SCHEMBL826660 0.84 GSR (0.50) GSRBLMKMT2ADDAH1ARG2
SCHEMBL10583206 0.81 GSR (0.55) GSRBLMDDAH1ARG2ARG1
SCHEMBL13005399 0.81 GSR (0.55) GSRBLMDDAH1ARG2ARG1

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-4176050-A1 PYRROLYSYL-TRNA SYNTHETASE VARIANTS AND USES THEREOF enGenes Biotech GmbH (AT) 2023-05-10 EP disclosed