SCHEMBL9088136

SCHEMBL9088136

CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(C(N)C(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTA4H P09960 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL7739654 0.83 POLB (0.47) ACECA1CA2POLBGAA
SCHEMBL7739653 0.83 POLB (0.47) ACECA1CA2POLBGAA
SCHEMBL9088141 0.83 HDAC1 (0.49) CA1CA2POLBMAPTNPSR1
SCHEMBL9819558 0.80 SYK (0.55) MAPT
SCHEMBL13570900 0.80 SYK (0.55) MAPT
SCHEMBL13570899 0.80 SYK (0.55) MAPT
SCHEMBL22612061 0.79 MEN1 (0.48) POLBGAAMAPTLTA4H
SCHEMBL20630934 0.79 MEN1 (0.48) POLBGAAMAPTLTA4H
SCHEMBL1376104 0.79 MEN1 (0.48) POLBGAAMAPTLTA4H
SCHEMBL9088792 0.79 P2RY12 (0.43) P2RY12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506267-A IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0641776-A2 Thioglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed