SCHEMBL6686068

SCHEMBL6686068

CC(COC=O)c1cc(C(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
VCAM1 P19320 1/20 0.47
PTGS1 P23219 5/20 0.43
PTGS2 P35354 5/20 0.43
ELANE P08246 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
ALOX5 P09917 1/20 0.38
ATM Q13315 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
SCHEMBL12274352 0.91 VCAM1 (0.50) MAPK1VCAM1PTGS1PTGS2ELANE
SCHEMBL26530223 0.84 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL2955209 0.84 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2ELANE
SCHEMBL2955824 0.84 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2ELANE
SCHEMBL2954189 0.83 MAPK1 (0.57) MAPK1VCAM1PTGS1PTGS2ELANE
SCHEMBL4309371 0.81 APP (0.39) CRHBPCRHR2ALDH1A1LMNAMAPT
SCHEMBL27822367 0.79 MAPK1 (0.61) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL21240 0.79 ALDH1A1 (0.47) ALDH1A1LMNAMAPTTDP1L3MBTL1
SCHEMBL8679862 0.78 PTGS1 (0.63) MAPK1VCAM1PTGS1PTGS2ELANE
SCHEMBL3365438 0.77 MAPK1 (0.58) MAPK1VCAM1PTGS1PTGS2ELANE

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
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 WO disclosed