SCHEMBL7688087

SCHEMBL7688087

CSCCC(NC(=O)OC(C)(C)C)C(=O)OCc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.36
SCN9A Q15858 4/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
PABPC1 P11940 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
BCL2 P10415 2/20 0.31
CACNA1B Q00975 1/20 0.31
BID P55957 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL7688088 1.00 POLB (0.39) POLBKLK7KLK5SCN9AEPHX2
SCHEMBL7083614 0.91 POLB (0.37) POLBKLK7KLK5SCN9AEPHX2
SCHEMBL7083615 0.91 POLB (0.37) POLBKLK7KLK5SCN9AEPHX2
SCHEMBL6961824 0.90 PABPC1 (0.42) SCN9AKMT2APABPC1KDM4EMAPT
SCHEMBL6961818 0.90 PABPC1 (0.42) SCN9AKMT2APABPC1KDM4EMAPT
SCHEMBL6955844 0.90 SCN9A (0.35) SCN9APABPC1CACNA1B
SCHEMBL6968925 0.89 SCN9A (0.34) KLK7KLK5SCN9APABPC1CACNA1B
SCHEMBL6955840 0.88 KLK7 (0.41) KLK7KLK5SCN9ATLR2TLR1
SCHEMBL6955835 0.88 KLK7 (0.41) KLK7KLK5SCN9ATLR2TLR1
SCHEMBL6967521 0.88 SCN9A (0.35) SCN9AMEN1KMT2APABPC1

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-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed