SCHEMBL14701736

SCHEMBL14701736

NCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.62
NOD1 Q9Y239 4/20 0.56
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
SLC6A5 Q9Y345 3/20 0.51
OTC P00480 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 1/20 0.45
PAOX Q6QHF9 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
RRM1 P23921 1/20 0.42
KDM4A O75164 1/20 0.42
HIF1A Q16665 1/20 0.42
TET2 Q6N021 1/20 0.42
DOHH Q9BU89 1/20 0.42

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
SCHEMBL7700448 1.00 GSR (0.62) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL19245892 0.98 GSR (0.65) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL18571034 0.94 GSR (0.61) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL19350580 0.94 GSR (0.61) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL2237345 0.94 GSR (0.61) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL2237341 0.94 GSR (0.61) GSRNOD1GNAI3GNAO1GNAI1
Lysine SCHEMBL25345292 0.93 NOD1 (0.67) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL13915669 0.93 GNAI3 (0.61) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL20192639 0.90 GSR (0.56) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL25406169 0.90 GSR (0.56) GSRNOD1GNAI3GNAO1GNAI1

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-2013022797-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2013-02-14 WO disclosed