SCHEMBL7096253

SCHEMBL7096253

C=C(C)C(=O)OCCN(CC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL12895484 0.94 ATM (0.46) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL6932967 0.93 MMP14 (0.47) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL2602717 0.93 MMP14 (0.47) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL16311864 0.89 ATM (0.43) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL7845708 0.87 ATM (0.53) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL9655690 0.87 PPARG (0.46) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL8614034 0.87 LSS (0.43) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL625610 0.87 MMP14 (0.49) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL625611 0.87 MMP14 (0.49) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL9313658 0.85 ACHE (0.47) L3MBTL1ALDH1A1MEN1KMT2ALMNA

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
EP-0735409-B1 Method for the manufacturing of transparent self-organized structures made of organic polymers for the conversion of optical frequency COMMISSARIAT ENERGIE ATOMIQUE (FR) 2003-09-03 EP claimed