SCHEMBL2902847

SCHEMBL2902847

O=C(O)C1CCCN(N2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL20456353 0.92 NOTUM (0.42) ALDH1A1HPGDNOTUM
SCHEMBL4112477 0.86 ALDH1A1 (0.44) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL17165159 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10SMN1; SMN2KDM4EKMT2A
SCHEMBL4593908 0.80 LMNA (0.46) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL7850459 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL13383600 0.78 LMNA (0.47) HSD17B10KDM4EMAPTTSHRHPGD
SCHEMBL2878783 0.77 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL316646 0.77 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL2880648 0.77 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL7357706 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2725902-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-05-07 EP claimed
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO claimed
EP-2725902-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-05-07 EP disclosed
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO disclosed
EP-2166843-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-03-31 EP disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed