SCHEMBL13655148

SCHEMBL13655148

BCC(=O)c1cccc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.65
ENPP2 Q13822 3/20 0.58
RAB9A P51151 2/20 0.57
KDM1A O60341 1/20 0.54
MAOA P21397 1/20 0.54
KDM1B Q8NB78 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4057992 0.88 MGLL (0.70) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL4066082 0.87 MGLL (0.65) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL6400257 0.86 MGLL (0.72) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL882953 0.84 MGLL (0.68) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL8984657 0.80 MGLL (0.76) MGLLENPP2RAB9APOLBNPC1
Benzyl Phenylcarbamate SCHEMBL1222943 0.80 POLB (0.78) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL6174197 0.80 MGLL (0.62) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL9560058 0.80 MGLL (0.62) MGLLENPP2RAB9AKDM1AMAOA
SCHEMBL27498433 0.79 MGLL (0.74) MGLLENPP2RAB9APOLBNPC1
SCHEMBL10013766 0.79 MGLL (0.61) MGLLENPP2RAB9AKDM1AMAOA

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-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed