SCHEMBL8484284

SCHEMBL8484284

CCOC(=O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
PTGS2 P35354 2/20 0.56
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
KMT2A Q03164 4/20 0.54
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
MAOB P27338 1/20 0.52
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.50
KCNH2 Q12809 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6335807 0.93 MAPT (0.66) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL16245527 0.92 MAPT (0.68) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL5467715 0.90 MAPT (0.69) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL17888638 0.87 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL3026910 0.85 PTGS2 (0.62) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL656776 0.85 PTGS2 (0.66) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL21458578 0.83 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL7640264 0.82 MAPT (0.67) MAPTCRHBPCRHR2L3MBTL1PTGS2
SCHEMBL9188865 0.81 PTGS2 (0.61) MAPTCRHBPCRHR2L3MBTL1PTGS2
Hydrochloric Acid SCHEMBL27483980 0.81 MAPT (0.57) MAPTCRHBPCRHR2L3MBTL1PTGS2

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO disclosed