SCHEMBL27435752

SCHEMBL27435752

CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MMP8 P22894 2/20 0.54
RECQL P46063 1/20 0.54
PIN1 Q13526 1/20 0.45
FBP1 P09467 3/20 0.42
PPID Q08752 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL10616749 0.82 ALDH1A1 (0.51) ALDH1A1MMP8RECQLPIN1FBP1
SCHEMBL9617912 0.79 SMN1; SMN2 (0.50) RECQLCYP1A2CYP2C19SMN1; SMN2
SCHEMBL7139929 0.77 ALDH1A1 (0.49) ALDH1A1MMP8RECQLCYP1A2CYP2C19
SCHEMBL5806489 0.77 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPIN1PPID
SCHEMBL4419400 0.77 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPIN1PPID
SCHEMBL8710582 0.76 MMP8 (0.79) ALDH1A1MMP8RECQLPIN1PPID
SCHEMBL8661661 0.76 MMP8 (0.60) ALDH1A1MMP8RECQLPIN1PPID
SCHEMBL30513307 0.76 ALDH1A1 (0.60) ALDH1A1MMP8RECQLPIN1PPID
SCHEMBL28879401 0.76 ALDH1A1 (0.60) ALDH1A1MMP8RECQLPIN1PPID
SCHEMBL1492859 0.76 MMP8 (0.65) ALDH1A1MMP8RECQLPIN1PPID

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-1104646-A Peptides SANDOZ LTD (CH) 1995-07-05 CN disclosed