SCHEMBL7323004

SCHEMBL7323004

COC(=O)c1cc(C)c(N)c(C(=O)O)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 2/20 0.41
THRB P10828 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL7324044 0.89 MMP13 (0.48) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7323918 0.78 TP53 (0.42) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7316589 0.77 NAMPT (0.47) ALDH1A1MMP9MMP13
SCHEMBL7324193 0.77 RAPGEF4 (0.48) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7323700 0.75 RAPGEF4 (0.48) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7314106 0.75 LMNA (0.43) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7317781 0.74 RAPGEF4 (0.47) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7317121 0.73 LMNA (0.42) RAPGEF4POLBMEN1KMT2ALMNA
SCHEMBL7323686 0.73 ALDH1A1 (0.46) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL7319427 0.71 RAPGEF4 (0.44) RAPGEF4POLBMEN1KMT2ALMNA

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed