SCHEMBL9999066

SCHEMBL9999066

CCN(C)C(=O)C(NC(=O)CCc1cc(-c2cccc(F)c2)n(-c2ccc(OC)cc2)n1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 13/20 0.49
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
SLC16A3 O15427 4/20 0.43
SLC16A1 P53985 4/20 0.43
MCTS1 Q9ULC4 3/20 0.43

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
SCHEMBL9998530 0.90 CCKAR (0.57) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9998587 0.86 CCKAR (0.55) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9998570 0.83 CCKAR (0.51) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9998578 0.82 RXRA (0.49) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9998771 0.81 ALOX5 (0.55) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9998797 0.81 RXRA (0.49) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988463 0.79 RXRA (0.54) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9996784 0.79 RXRA (0.49) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9998397 0.78 CCKAR (0.46) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9999152 0.78 CCKAR (0.49) CCKARALOX5PTGS2RXRARXRB

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-2011161645-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed