SCHEMBL13513634

SCHEMBL13513634

CC(OC(C)(C)C)C(=O)C(C)(C)C(C)(C)OCCC(CC(=O)Nc1ccccc1S(=O)(=O)Oc1ccccc1)CC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL13513692 0.84 MDM4 (0.34) POLB
SCHEMBL13844190 0.84 POLB (0.34) POLBCA1CA2
SCHEMBL13844188 0.84 POLB (0.38) POLBCA1CA2
SCHEMBL13844229 0.82 POLB (0.33) POLB
SCHEMBL13513696 0.79 CA2 (0.31) CA1CA2
SCHEMBL13513688 0.78 CA1 (0.35) POLBCA1CA2
SCHEMBL13513670 0.76 MEN1 (0.30)
SCHEMBL13513735 0.75 CA1 (0.33) POLBCA1CA2
SCHEMBL13993739 0.75 POLB (0.38) POLBCA1CA2
SCHEMBL14035440 0.73 CA1 (0.35) POLBCA1CA2

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
EP-1758949-B1 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF CANON KK (JP) 2010-01-13 EP disclosed