SCHEMBL741638

SCHEMBL741638

CC(C)(C)OC(=O)NC1CCCCC1(N)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE4B Q07343 1/20 0.43
CTSL P07711 1/20 0.43
SYK P43405 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
CPB1 P15086 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
FKBP1A P62942 2/20 0.40

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
SCHEMBL743603 0.83 KMT2A (0.41) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL741822 0.83 CYP3A4 (0.41) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL30440711 0.80 KMT2A (0.51) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL14169795 0.78 KMT2A (0.49) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL4033681 0.78 CPB1 (0.54) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL23460765 0.78 KMT2A (0.51) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL4823158 0.77 CTSS (0.54) KMT2AL3MBTL1CTSLSYK
SCHEMBL10137650 0.76 CPB1 (0.56) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL12873056 0.76 CPB1 (0.56) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL8657174 0.76 KMT2A (0.43) KMT2AL3MBTL1PDE4BCTSLSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed