SCHEMBL8089944

SCHEMBL8089944

NC(=O)OC[C@H](CO)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
CYP2D6 P10635 1/20 0.83
PKM P14618 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
PRKCA P17252 2/20 0.49
PRKCD Q05655 2/20 0.49
ALDH1A1 P00352 1/20 0.47
GABBR2 O75899 2/20 0.44
GABBR1 Q9UBS5 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC6A3 Q01959 3/20 0.42
DRD3 P35462 2/20 0.42
CYP2C19 P33261 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42
MC3R P41968 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
SCHEMBL7775772 1.00 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL1049127 0.95 CYP1A2 (0.86) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Sulfamate SCHEMBL8913325 0.92 CYP1A2 (0.71) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Sulfamate SCHEMBL8914106 0.92 CYP1A2 (0.71) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Sulfamate SCHEMBL8822869 0.92 CYP1A2 (0.71) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL34947 0.91 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL2946508 0.91 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL7153063 0.89 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL17597519 0.89 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL19926340 0.86 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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-0802901-B1 NOVEL CARBAMATE COMPOUNDS CONTAINING THIOCARBAMOYL GROUP AND PROCESS FOR PREPARING THE SAME YUKONG LTD (KR) 2000-10-04 EP claimed