SCHEMBL2810372

SCHEMBL2810372

CC(C)COC(=O)c1ccc(OCC(C)C)c(N)c1.CC(C)COC(=O)c1ccc(OCC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
PELP1 Q8IZL8 1/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
XDH P47989 2/20 0.47
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
PRSS1 P07477 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2773030 0.93 AR (0.55) ARPELP1MEN1ALDH1A1KMT2A
SCHEMBL2770938 0.88 USP2 (0.51) ALDH1A1XDHSMN1; SMN2
SCHEMBL10946588 0.84 MAPT (0.60) MAPTMEN1ALDH1A1KMT2ARECQL
SCHEMBL4718892 0.83 AR (0.67) ARPELP1MEN1ALDH1A1KMT2A
SCHEMBL28451159 0.81 MYC (0.58) ARPELP1ALDH1A1MYCMAX
SCHEMBL4717487 0.80 MYC (0.64) XDHMYCMAXPRSS1
SCHEMBL17395859 0.80 ALDH1A1 (0.59) ARPELP1MAPTALDH1A1KMT2A
SCHEMBL4717489 0.79 PDK1 (0.52) ARPELP1XDHMYCMAX
SCHEMBL3981486 0.77 KMT2A (0.45) ARPELP1MAPTALDH1A1KMT2A
SCHEMBL4718483 0.77 XDH (0.47) ARPELP1XDHMYCMAX

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-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed