SCHEMBL1622181

SCHEMBL1622181

CC(C)(C)OC(=O)N(CCOc1ccc(I)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BACE1 P56817 5/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL5703818 0.89 MEN1 (0.51) MEN1KMT2ABACE1KDM4E
SCHEMBL5703835 0.88 MEN1 (0.45) MEN1KMT2ABACE1KDM4E
SCHEMBL8976312 0.87 ALOX15 (0.52) MEN1KMT2ABACE1KDM4EPOLB
SCHEMBL4583951 0.85 KMT2A (0.54) MEN1KMT2AKDM4EPOLBPDE1A
SCHEMBL4583955 0.85 KMT2A (0.54) MEN1KMT2AKDM4EPOLBPDE1A
SCHEMBL6804331 0.82 HDAC3 (0.46) MEN1KMT2AKDM4EPOLBPDE1A
SCHEMBL1625900 0.80 BACE1 (0.47) MEN1KMT2ABACE1KDM4EALDH1A1
SCHEMBL1625898 0.80 BACE1 (0.47) MEN1KMT2ABACE1KDM4EALDH1A1
SCHEMBL18290080 0.79 SSTR4 (0.45) KDM4EPOLBPDE1APDE1BPDE1C
SCHEMBL18290020 0.77 CA14 (0.40) KDM4EPOLBPDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed