SCHEMBL7980355

SCHEMBL7980355

CC(C)C[C@@H](C(=O)OCc1ccccc1)[C@H](CCCBr)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CTSK P43235 6/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.39
CTSB P07858 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL7980357 1.00 POLB (0.43) POLBCTSKGAAMAPTXBP1
SCHEMBL5682035 0.90 POLB (0.44) POLBCTSKGAAMAPTXBP1
SCHEMBL7465906 0.90 POLB (0.44) POLBCTSKGAAMAPTXBP1
SCHEMBL5682124 0.87 POLB (0.45) POLBCTSKGAAMAPTXBP1
SCHEMBL5677953 0.84 PSMB5 (0.40) POLBCTSKGAAMAPTXBP1
SCHEMBL5682158 0.84 PSMB5 (0.40) POLBCTSKGAAMAPTXBP1
SCHEMBL9327711 0.83 CTSK (0.48) POLBCTSKGAAMAPTXBP1
SCHEMBL4633702 0.82 CTSK (0.47) POLBCTSKGAAMAPTXBP1
SCHEMBL5188450 0.82 CTSK (0.47) POLBCTSKGAAMAPTXBP1
SCHEMBL5497072 0.82 CTSK (0.47) POLBCTSKGAAMAPTXBP1

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-6281352-B1 ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-08-28 US disclosed