SCHEMBL991445

SCHEMBL991445

CC(C)(C)OC(=O)CN1CCC(CC(=O)O)NCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.34
PLA2G5 P39877 2/20 0.34
CNR1 P21554 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HTR4 Q13639 1/20 0.33
CDK9 P50750 1/20 0.32
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGAL P20701 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
SCHEMBL4960304 0.80 BIRC2 (0.35) PLA2G10PLA2G5ITGB3ITGB2ITGB1
SCHEMBL24709213 0.79 HTR4 (0.41) PLA2G10PLA2G5CNR1WNT1GSK3B
SCHEMBL10063507 0.75 HSD17B10 (0.42) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL1041478 0.75 HSD17B10 (0.42) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL12004645 0.75 HSD17B10 (0.42) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL16749946 0.75 HSD17B10 (0.42) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL20260416 0.75 HSD17B10 (0.42) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL27147241 0.75 PLA2G10 (0.41) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL3470166 0.75 PLA2G10 (0.41) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL3799622 0.75 PLA2G10 (0.41) PLA2G10PLA2G5WNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451776-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2012-05-16 EP disclosed
WO-2011005322-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2011-01-13 WO disclosed
EP-1311301-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION THEREOF Bristol-Myers Squibb Pharma Company (US) 2003-05-21 EP disclosed
WO-2002004030-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed