SCHEMBL7204453

SCHEMBL7204453

CCOC(=O)c1c(O)c2c([N+](=O)[O-])cccc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 4/20 0.60
MEN1 O00255 2/20 0.54
PABPC1 P11940 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 4/20 0.47
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
AR P10275 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL7598991 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL10044901 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL1685962 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL7597398 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL6996658 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL7200053 0.79 HDAC4 (0.54) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL7617278 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL7614893 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL5165226 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL7249971 0.79 MAPT (0.49) ALDH1A1KDM4EMEN1PABPC1KMT2A

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
US-6605616-B1 Autoimmune diseases; inflammation ACTIVE BIOTECH AB (SE) 2003-08-12 US disclosed