SCHEMBL4552263

SCHEMBL4552263

C=CCC1(C(=O)O)CCC(CN)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.34

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
Hydrochloric Acid SCHEMBL4413231 0.98 PLG (0.39) PLGPLATLMNACYP2D6
SCHEMBL6063404 0.82 CYP2C19 (0.31)
SCHEMBL11769674 0.80 CYP2C19 (0.31)
SCHEMBL517571 0.79
SCHEMBL11664080 0.79 CYP2C19 (0.38) LMNA
SCHEMBL2466738 0.79 CYP2C19 (0.39) PLGPLATLMNA
SCHEMBL1066549 0.77 PLG (0.44) PLGPLATLMNACYP2D6
SCHEMBL11634222 0.75 CYP2C19 (0.50)
SCHEMBL16151058 0.75 CYP2C19 (0.45)
Hydrochloric Acid SCHEMBL15227957 0.75 PLG (0.42) PLGPLATLMNACYP2D6

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
WO-2009145378-A1 GD COMPLEX COMPRISING DTPA-BIS-AMIDE LIGAND AND METHOD FOR PREPARING THE SAME KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2009-12-03 WO disclosed