SCHEMBL9636015

SCHEMBL9636015

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNH2 Q12809 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PTGS2 P35354 1/20 0.41
ASAH2 Q9NR71 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL10598448 0.85 MGLL (0.52) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL2495349 0.83 MGLL (0.50) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL28755282 0.81 MGLL (0.51) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL18973357 0.81 MGLL (0.48) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL4832122 0.80 CTRC (0.56) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL9427950 0.80 MGLL (0.47) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL93218 0.80 CTRC (0.56) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL9850763 0.80 MGLL (0.47) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL7255831 0.80 CTRC (0.56) MGLLMAPTL3MBTL1CRHBPCRHR2
SCHEMBL7733755 0.79 MGLL (0.52) MGLLMAPTL3MBTL1CRHBPCRHR2

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-0484518-A1 SELECTIVE MONOACYLATION OF SUBSTITUTED HYDRAZINES EASTMAN KODAK COMPANY (US) 1992-05-13 EP disclosed
WO-1991017978-A2 SELECTIVE MONOACYLATION OF SUBSTITUTED HYDRAZINES EASTMAN KODAK COMPANY (US) 1991-11-28 WO disclosed