SCHEMBL7086708

SCHEMBL7086708

CCCCC(CCCC)C(=NO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
PRSS1 P07477 2/20 0.40
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
CMA1 P23946 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
CNR2 P34972 1/20 0.37
ATM Q13315 1/20 0.37
CA2 P00918 1/20 0.37
CTSK P43235 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL5360512 0.91 PRSS1 (0.36) PTGS2PRSS1CTSGCTRB1CMA1
SCHEMBL10781135 0.86 PRSS1 (0.36) PTGS2PRSS1CTSGCTRB1CMA1
SCHEMBL2284727 0.85 CSNK1E (0.40) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL11765158 0.83 PRSS1 (0.39) PTGS2PRSS1CTSGCTRB1CMA1
SCHEMBL207033 0.81 PTGS2 (0.38) PTGS2PRSS1CTSGCTRB1CMA1
SCHEMBL7538560 0.80 POLB (0.46) PRSS1CTSGCTRB1CMA1MAPK1
SCHEMBL5897178 0.80 POLB (0.35) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8910003 0.79 CES2 (0.40) PTGS2PRSS1CTSGCTRB1CMA1
SCHEMBL4218253 0.79 PTGS2 (0.36) PTGS2PRSS1CTSGCTRB1CMA1
SCHEMBL9542823 0.79 ALDH1A1 (0.38) PTGS2PRSS1CTSGCTRB1CMA1

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
WO-2003070993-A1 DEVICE AND PROCESS FOR SOLVENT EXTRACTION UMATILLA RESOURCES PTY LTD (AU) 2003-08-28 WO disclosed