SCHEMBL9316800

SCHEMBL9316800

COP(=O)(OCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 2/20 0.43
HSD11B1 P28845 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LTA4H P09960 1/20 0.42
PLA2G2A P14555 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4452675 0.81 CA1 (0.58) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL9254186 0.78 GSK3B (0.50) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL9316427 0.78 CA1 (0.52) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL6072613 0.76 ALDH1A1 (0.61) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL4452972 0.74 CA1 (0.62) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL27351688 0.73 CA1 (0.64) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL6321927 0.73 ALOX5 (0.62) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL13531982 0.72 GSK3B (0.61) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL4456578 0.72 CA1 (0.58) ALDH1A1MAPTMEN1KMT2ACES2
SCHEMBL16398970 0.72 ALOX5 (0.92) ALOX5ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314815-A Method for temporarily inhibiting or deactivating serine hydrolase and adduct of serine hydrolase with a phosphonate or phosphate compound THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-05-24 US disclosed
US-5281523-A Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-01-25 US disclosed