SCHEMBL9408664

SCHEMBL9408664

C=C(c1ccc(CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 4/20 0.39
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL9408547 0.82 TDP1 (0.47) MEN1KMT2AKDM4ELMNACHRM2
SCHEMBL9408639 0.82 TDP1 (0.47) L3MBTL1RXRARXRBRXRGMEN1
SCHEMBL9408665 0.79 TDP1 (0.47) L3MBTL1RXRARXRBRXRGMEN1
SCHEMBL2475473 0.74 LSS (0.48) RXRARXRBRXRGMEN1KMT2A
SCHEMBL7959904 0.74 TACR1 (0.49) L3MBTL1RXRARXRBRXRGMEN1
SCHEMBL9408619 0.74 TDP1 (0.44) KDM4ELMNACHRM2ADRA2AALOX15
SCHEMBL9408545 0.73 TDP1 (0.43) L3MBTL1RXRARXRBRXRGKDM4E
SCHEMBL13673129 0.73 TACR1 (0.48) L3MBTL1RXRARXRBRXRGMEN1
SCHEMBL9408558 0.71 RHOC (0.48) L3MBTL1KDM4ELMNACHRM2ADRA2A
SCHEMBL7564337 0.70 TDP1 (0.58) KDM4ELMNACHRM2ADRA2AALOX15

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-0592306-A2 19F-MRI Contrast medium TERUMO KABUSHIKI KAISHA (JP) 1994-04-13 EP disclosed