SCHEMBL9989347

SCHEMBL9989347

COc1ccc(-n2nc(CCC(=O)NCCN3CCNC3=O)cc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
PTGS2 P35354 2/20 0.47
ALOX5 P09917 2/20 0.47
RPA1 P27694 1/20 0.46
HPGDS O60760 1/20 0.45
CCKAR P32238 8/20 0.44
MALT1 Q9UDY8 1/20 0.44
ILK Q13418 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
SLC5A1 P13866 2/20 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
SCHEMBL9988526 0.92 RXRA (0.45) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9988576 0.92 LMNA (0.47) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9990127 0.89 CA1 (0.44) RXRARXRBRXRGHPGDSILK
SCHEMBL9988702 0.85 PTGS2 (0.58) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9989823 0.82 RXRA (0.40) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9988404 0.82 PTGS2 (0.59) RXRARXRBRXRGPTGS2
SCHEMBL9988392 0.81 MC4R (0.57) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9988469 0.80 RAB9A (0.40) RXRARXRBRXRGALOX5ILK
SCHEMBL9989270 0.80 RXRA (0.45) RXRARXRBRXRGPTGS2MALT1
SCHEMBL9989355 0.80 MALT1 (0.62) RXRARXRBRXRGPTGS2ALOX5

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed