SCHEMBL9011765

SCHEMBL9011765

NC(=O)OCC(C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CYP2D6 P10635 2/20 0.68
PKM P14618 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
CYP2C19 P33261 2/20 0.49
EPHX1 P07099 1/20 0.49
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
SLC6A3 Q01959 3/20 0.43
DRD3 P35462 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
EDNRB P24530 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
MC3R P41968 1/20 0.43
DRD2 P14416 1/20 0.43
SRC P12931 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
SCHEMBL8460020 0.81 CYP2C19 (0.49) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL2946508 0.81 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL34947 0.81 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL31677400 0.80 CYP1A2 (0.47) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL31677401 0.80 CYP1A2 (0.47) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8645117 0.79 CYP1A2 (0.70) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Styramate SCHEMBL487238 0.79 SMN1; SMN2 (0.70) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Styramate SCHEMBL22716369 0.79 SMN1; SMN2 (0.70) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL12682028 0.79 CYP1A2 (0.70) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL7153063 0.79 CYP1A2 (0.96) 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
US-5492930-A ADMINISTERING 2-PHENYL-1,3-PROPANEDIOL MONOCARBAMATE SCHERING CORPORATION (US) 1996-02-20 US disclosed