SCHEMBL6954075

SCHEMBL6954075

CC1=C(C(=O)OCC2CCCO2)C(c2cccc(Br)c2)C(C(=O)OCC2CCCO2)=C(C)N1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.93
NPSR1 Q6W5P4 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 4/20 0.57
MAPK1 P28482 1/20 0.54
CACNA1B Q00975 1/20 0.53
HPGD P15428 3/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL6958389 0.85 POLB (0.81) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL6959316 0.84 POLB (0.80) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL6955155 0.84 POLB (0.80) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL6955134 0.84 POLB (0.68) POLBKMT2AMAPK1TSHRLMNA
SCHEMBL6956017 0.83 POLB (0.79) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL6947789 0.83 POLB (0.77) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL6960340 0.82 POLB (0.76) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL6954033 0.82 POLB (0.76) POLBNPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL7416441 0.81 POLB (0.64) POLBKMT2AMAPK1CACNA1BTSHR
SCHEMBL7132512 0.81 POLB (0.75) POLBKMT2AMAPK1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed