SCHEMBL1622182

SCHEMBL1622182

CC(C)(C)C(CN(C[C@H](O)c1ccccc1)C(=O)O)Oc1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
AOC3 Q16853 2/20 0.40
SLC6A4 P31645 2/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRB3 P13945 8/20 0.35
SLC6A9 P48067 3/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL4583955 0.76 KMT2A (0.54) MEN1KMT2AAOC3KDM4ESMN1; SMN2
SCHEMBL4583951 0.76 KMT2A (0.54) MEN1KMT2AAOC3KDM4ESMN1; SMN2
SCHEMBL4595769 0.74 AOC3 (0.49) MEN1KMT2AAOC3SLC6A4KDM4E
SCHEMBL1622181 0.72 MEN1 (0.50) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL15311235 0.69 AOC3 (0.54) MEN1KMT2AAOC3KDM4ESMN1; SMN2
SCHEMBL15311237 0.69 AOC3 (0.54) MEN1KMT2AAOC3KDM4ESMN1; SMN2
SCHEMBL15311236 0.69 AOC3 (0.54) MEN1KMT2AAOC3KDM4ESMN1; SMN2
SCHEMBL4585446 0.68 MEN1 (0.57) MEN1KMT2AAOC3KDM4E
SCHEMBL4585449 0.68 MEN1 (0.57) MEN1KMT2AAOC3KDM4E
SCHEMBL4585162 0.68 MEN1 (0.50) MEN1KMT2AKDM4EADRB3

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-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed