SCHEMBL3628805

SCHEMBL3628805

CC(C)(C)OC(=O)NCCN(CCC(=O)O)CCC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SYK P43405 1/20 0.49
IDO1 P14902 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
AKT1 P31749 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
FOLH1 Q04609 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL8047038 0.98 SYK (0.51) HTTSYKIDO1MEN1KMT2A
SCHEMBL3628803 0.98 SYK (0.51) HTTSYKIDO1MEN1KMT2A
SCHEMBL18429347 0.91 SYK (0.47) HTTSYKIDO1MEN1KMT2A
SCHEMBL24896931 0.91 SYK (0.49) HTTSYKIDO1MEN1KMT2A
SCHEMBL5019105 0.90 SYK (0.48) HTTSYKIDO1MEN1KMT2A
SCHEMBL6840739 0.88 HTT (0.52) HTTSYKIDO1MEN1KMT2A
SCHEMBL18429290 0.88 SYK (0.51) HTTSYKIDO1MEN1KMT2A
SCHEMBL31165330 0.88 SYK (0.58) HTTSYKIDO1MAPTSMN1; SMN2
SCHEMBL15613432 0.88 SYK (0.58) HTTSYKIDO1MAPTSMN1; SMN2
SCHEMBL25460174 0.88 SYK (0.47) HTTSYKIDO1MEN1KMT2A

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
US-20100015058-A1 RADIOLABELED BBN-RGD HETERODIMERS FOR CANCER TARGETING STANFORD UNIVERSITY (US) 2010-01-21 US disclosed