SCHEMBL9408683

SCHEMBL9408683

O=C(O)CN(CCN(CCS(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ACP1 P24666 1/20 0.41
CA1 P00915 13/20 0.39
CA2 P00918 13/20 0.39
CA4 P22748 8/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL9408541 0.76 LMNA (0.65) LMNAACP1CA1CA2CA4
SCHEMBL9408615 0.74 L3MBTL1 (0.55) LMNAL3MBTL1CA1CA2CA4
SCHEMBL9408639 0.74 TDP1 (0.47) LMNAL3MBTL1KDM4ECHRM2ADRA2A
SCHEMBL9408665 0.74 TDP1 (0.47) LMNAL3MBTL1KDM4ECHRM2ADRA2A
SCHEMBL9408542 0.71 BLM (0.44) LMNAL3MBTL1ALDH1A1KDM4ECHRM2
SCHEMBL9408647 0.71 RHOC (0.45) LMNAL3MBTL1KDM4ECHRM2ADRA2A
SCHEMBL9408558 0.71 RHOC (0.48) LMNAL3MBTL1ALDH1A1KDM4ECHRM2
SCHEMBL10640593 0.71 LMNA (0.65) LMNAL3MBTL1ACP1CA1CA2
SCHEMBL9408701 0.70 TDP1 (0.43) LMNAL3MBTL1CA1CA2CA4
SCHEMBL9408545 0.70 TDP1 (0.43) LMNAL3MBTL1CA1CA2CA4

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