SCHEMBL6136683

SCHEMBL6136683

CCCCC(CC)C(OC(c1ccc([N+](=O)[O-])cc1)C(CC)CCCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ MGLL Q99685 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ASAH2 Q9NR71 1/20 0.39
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.38

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
SCHEMBL6297471 0.85 L3MBTL1 (0.40) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL2166937 0.80 MAPT (0.40) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL10608761 0.75 MAPT (0.49) MAPTMGLLLMNAPOLBALDH1A1
SCHEMBL6680576 0.75 MAPT (0.49) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL9392854 0.75 ALDH1A1 (0.62) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL8667678 0.74 MAPT (0.47) MAPTMGLLLMNAPOLBALDH1A1
SCHEMBL28807512 0.74 MAPT (0.47) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL28488450 0.74 MAPT (0.47) MAPTMGLLLMNAPOLBALDH1A1
SCHEMBL8727031 0.74 MGLL (0.46) MAPTMGLLMEN1KMT2AALDH1A1
SCHEMBL9165350 0.74 MGLL (0.46) MAPTMGLLMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081140-B1 Novel Pyrimidine-2,4,6-trione compounds DSM IP ASSETS BV (NL) 2005-06-01 — — EP disclosed
US-6573269-B1 Compounds for protecting surface of substrate from ultraviolet light ROCHE VITAMINS INC. 2003-06-03 — — US disclosed
EP-1081140-A2 Novel Pyrimidine-2,4,6-trione compounds F. HOFFMANN-LA ROCHE AG (CH) 2001-03-07 — — EP disclosed
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