SCHEMBL10279986

SCHEMBL10279986

CC(=O)CCOCCCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.49
NOS1 P29475 6/20 0.49
NOS3 P29474 4/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
GSR P00390 2/20 0.46
DDAH1 O94760 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44

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
SCHEMBL21590080 0.89 NOS3 (0.60) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL21590077 0.89 NOS3 (0.60) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL10279979 0.84 NOS2 (0.51) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL21250709 0.83 NOS2 (0.47) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL21335891 0.81 GSR (0.48) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL10279976 0.81 GSR (0.56) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL26747924 0.81 GSR (0.56) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL14508685 0.80 DDAH1 (0.54) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL31369975 0.79 GSR (0.67) NOS2NOS1NOS3KMT2AMEN1
SCHEMBL25661126 0.79 GSR (0.50) NOS2NOS1NOS3KMT2AMEN1

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
WO-2012024452-A2 MODIFIED RELAXIN POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2012-02-23 WO disclosed