SCHEMBL11063253

SCHEMBL11063253

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.61
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
POLB P06746 1/20 0.48
GAA P10253 3/20 0.48
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 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
SCHEMBL11060689 1.00 MGLL (0.61) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL11064813 1.00 MGLL (0.61) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL28497167 0.97 MGLL (0.58) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL28120256 0.93 MGLL (0.56) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL531154 0.89 MAPT (0.65) MGLLBCL9CTNNB1MAPTL3MBTL1
Bromide SCHEMBL11882886 0.89 MGLL (0.50) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL60448 0.88 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL28063044 0.88 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL7073161 0.88 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL7075032 0.88 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1

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-0112344-A1 AMPHIPATHIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-07-04 EP disclosed
WO-1983004412-A1 AMPHIPATHIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-12-22 WO disclosed