SCHEMBL4082478

SCHEMBL4082478

CCCCOC(=O)N1CCNCCNCCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 3/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
ATM Q13315 1/20 0.40
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
TSHR P16473 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39
GBA2 Q9HCG7 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL17017 0.98 POLB (0.63) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL18760256 0.98 POLB (0.63) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL5820669 0.98 POLB (0.63) POLBSMN1; SMN2LMNAALDH1A1HRH2
Hydrochloric Acid SCHEMBL1111003 0.97 POLB (0.61) POLBSMN1; SMN2LMNAALDH1A1HRH2
Potassium SCHEMBL30906131 0.97 POLB (0.61) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL5667296 0.93 LMNA (0.57) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL112600 0.92 SMN1; SMN2 (0.56) POLBSMN1; SMN2LMNAALDH1A1HRH2
SCHEMBL25424462 0.92 LMNA (0.55) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL27694189 0.92 LMNA (0.55) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL9123475 0.92 LMNA (0.55) POLBSMN1; SMN2LMNAGNAI3GNAO1

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-2041571-A1 LUMINEESCENCE ASSAY USING MACROCYCLIC LANTHANIDE ( III ) COMPLEXES UNIVERSITY OF DURHAM (GB) 2009-04-01 EP disclosed
WO-2008007089-A1 LUMINEESCENCE ASSAY USING MACROCYCLIC LANTHANIDE ( III ) COMPLEXES UNIVERSITY OF DURHAM (GB) 2008-01-17 WO disclosed