SCHEMBL11501421

SCHEMBL11501421

NCC(=O)CP(=O)(O)CC(=O)CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
OTC P00480 1/20 0.38
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
LMNA P02545 3/20 0.35
BLM P54132 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL11419595 0.87 ANPEP (0.33) GABRR1OTCGLRA1SLC6A9OR51E2
SCHEMBL7823406 0.82
SCHEMBL11424753 0.81 GABBR2 (0.42) GABRR1TSHRALDH1A1GABBR2GABBR1
SCHEMBL339989 0.78
SCHEMBL9152811 0.78 PLG (0.32) LMNA
SCHEMBL2958882 0.78 GABBR2 (0.59) GABRR1GABBR2GABBR1
Bromide SCHEMBL9159534 0.76 PLG (0.31) LMNA
Bromide SCHEMBL9154886 0.76 GABBR2 (0.57) GABRR1GABBR2GABBR1
SCHEMBL2951181 0.73 MMP2 (0.40) CYP3A4ANPEPERAP2
SCHEMBL11529930 0.71 TPI1 (0.30) GABRR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148624-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1979-04-10 US claimed
US-4233056-A POSTEMERGENCE HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4148624-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1979-04-10 US disclosed
US-4148624-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1979-04-10 US disclosed