SCHEMBL4411085

SCHEMBL4411085

COCCC1(C(=O)O)CCC(CN)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.33
PTGS1 P23219 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DPP4 P27487 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16628745 0.81 MAPK1 (0.35) MAPK1PTGS1KDM4EDPP4
SCHEMBL16628742 0.81 MAPK1 (0.35) MAPK1PTGS1KDM4EDPP4
SCHEMBL9413267 0.81 PLG (0.41) PLGPLATLMNACYP2D6
SCHEMBL29117284 0.80 MAPK1 (0.37) LMNAMAPK1PTGS1KDM4EDPP4
Hydrochloric Acid SCHEMBL6223564 0.80 ALDH1A1 (0.35) PLGPLATLMNAMAPK1CYP2D6
Hydrochloric Acid SCHEMBL4413226 0.78 PLG (0.41) PLGPLATLMNACYP2D6
SCHEMBL1066549 0.78 PLG (0.44) PLGPLATLMNACYP2D6
SCHEMBL3877084 0.77 CYP2C19 (0.47) MAPK1PTGS1KDM4EDPP4
Hydrochloric Acid SCHEMBL15227957 0.76 PLG (0.42) PLGPLATLMNACYP2D6
SCHEMBL28278251 0.75 CYP2C19 (0.50) MAPK1PTGS1KDM4EDPP4

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