SCHEMBL14740938

SCHEMBL14740938

CC(=O)CCc1ccc2nc(C)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TAS1R3 Q7RTX0 5/20 0.45
TAS1R1 Q7RTX1 5/20 0.45
ALDH1A1 P00352 4/20 0.42
MME P08473 1/20 0.40
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL4255713 0.87 POLB (0.47) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL14741088 0.82 MAPT (0.43) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL20613184 0.81 ALDH1A1 (0.46) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL14740990 0.80 CASP3 (0.58) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL8247663 0.80 TAS1R3 (0.47) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL14371694 0.79 GAA (0.54) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL1390803 0.78 POLB (0.44) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL1390782 0.78 ALDH1A1 (0.48) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL2914500 0.77 PSMB5 (0.46) POLBSMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL17385281 0.77 GAA (0.51) POLBSMN1; SMN2RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed