SCHEMBL27822367

SCHEMBL27822367

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
VCAM1 P19320 2/20 0.57
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
CDC25B P30305 1/20 0.44
CASP6 P55212 1/20 0.44
MAPT P10636 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL8679862 0.87 PTGS1 (0.63) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL7712098 0.85 CASP6 (0.62) TSHRCASP6LMNA
SCHEMBL2954189 0.85 MAPK1 (0.57) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL3365438 0.83 MAPK1 (0.58) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL11014183 0.80 MAPK1 (0.73) MAPK1VCAM1PTGS2CES2CES1
SCHEMBL2955209 0.79 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL26530223 0.79 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL6686068 0.79 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL2955824 0.79 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL5981573 0.79 TSHR (0.71) MAPK1VCAM1CES2CES1POLB

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
CN-101298464-B Photolabile compound, oligomer probe array and substrate, and manufacturing method of the same SAMSUNG ELECTRONICS CO LTD 2011-10-12 CN disclosed