SCHEMBL5310918

SCHEMBL5310918

CC(Cl)n1ccc(=O)n(C(C)Cl)c1=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL4490436 0.75 POLB (0.32) PTGS2
SCHEMBL27989702 0.64 BRD4 (0.32)
SCHEMBL27411171 0.64 CRBN (0.50)
SCHEMBL21846831 0.63 CRBN (0.34)
SCHEMBL23028988 0.61 POLB (0.32)
SCHEMBL17818472 0.57 SLC6A4 (0.46)
SCHEMBL17014807 0.57 PTGS2 (0.38) PTGS2
SCHEMBL23029068 0.57
SCHEMBL19377760 0.57 GSK3B (0.46)
SCHEMBL12128675 0.55 ADORA2B (0.31)

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-20070231260-A1 Transporter-targeted methods of diagnosis and treatment XENOPORT, INC. (US) 2007-10-04 US disclosed
WO-2007041268-A2 TRANSPORTER-TARGETED METHODS OF DIAGNOSIS AND TREATMENT XENOPORT, INC. (US) 2007-04-12 WO disclosed