SCHEMBL27744121

SCHEMBL27744121

O=[N+]([O-])CC(O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
ALDH1A1 P00352 4/20 0.42
ACP3 P15309 1/20 0.42
CNR2 P34972 2/20 0.41
SCN9A Q15858 1/20 0.38
CPA1 P15085 3/20 0.37
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL10216727 0.82 CNR1 (0.51) CNR1ACP3CNR2CPA1MAPK1
Hydrochloric Acid SCHEMBL381653 0.81 CNR1 (0.50) CNR1ALDH1A1ACP3CNR2CPA1
SCHEMBL5698922 0.79 ACP3 (0.45) ACP3CNR2SCN9ACACNA2D1CACNA1B
SCHEMBL13703398 0.79 CNR1 (0.46) CNR1ALDH1A1ACP3CNR2CPA1
SCHEMBL27849108 0.79 CNR1 (0.46) CNR1ACP3CNR2SCN9ACPA1
SCHEMBL8625362 0.78 ACP3 (0.45) CNR1ALDH1A1ACP3CNR2POLB
SCHEMBL6128208 0.78 CNR1 (0.47) CNR1ALDH1A1CPA1
SCHEMBL3179325 0.78 CNR1 (0.48) CNR1ACP3CNR2CPA1CACNA2D1
SCHEMBL2512250 0.78 CNR1 (0.48) CNR1ALDH1A1ACP3CNR2CPA1
SCHEMBL2512248 0.78 CNR1 (0.48) CNR1ALDH1A1ACP3CNR2CPA1

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
CN-101412711-A Carbamate derivatives and use thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-22 CN disclosed