SCHEMBL19203693

SCHEMBL19203693

CC(C)CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.65
CTNNB1 P35222 1/20 0.65
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.49
MAPT P10636 4/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MGLL Q99685 2/20 0.48
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTR2A P28223 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
ALDH1A1 P00352 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
SCHEMBL27713294 0.90 BCL9 (0.70) BCL9CTNNB1GAAMAPTCRHBP
SCHEMBL531007 0.88 BCL9 (0.76) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL7079988 0.87 BCL9 (0.73) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL531155 0.87 BCL9 (0.73) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL530771 0.87 BCL9 (0.73) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL570540 0.87 BCL9 (0.73) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL3919600 0.85 BCL9 (0.76) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL1400174 0.84 BCL9 (0.80) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL14088868 0.84 BCL9 (0.70) BCL9CTNNB1TDP1GAAMAPT
SCHEMBL9446512 0.84 BCL9 (0.70) BCL9CTNNB1TDP1GAAMAPT

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-20170218123-A1 AMPHIPHILIC BLOCKCOPOLYMERS COMPRISING REDUCTION SENSITIVE BIODEGRADABLE POLYESTERAMIDES DSM IP ASSETS, B.V. (NL) 2017-08-03 US disclosed