SCHEMBL9989267

SCHEMBL9989267

COc1ccc(-n2nc(CCC(=O)NCc3cc(C)ccc3C)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 11/20 0.47
ALOX5 P09917 2/20 0.47
PTGS2 P35354 1/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
P2RX7 Q99572 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PTGS1 P23219 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
MAPT P10636 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
SCHEMBL9990073 0.95 RXRA (0.48) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988639 0.93 RXRA (0.46) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9990231 0.92 RXRA (0.51) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988461 0.91 PTGS2 (0.45) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989582 0.91 ALOX5 (0.53) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9990297 0.91 CCKAR (0.55) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988490 0.89 LMNA (0.49) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988686 0.89 CCKAR (0.56) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989045 0.89 RXRA (0.47) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989581 0.89 ILK (0.49) ALOX5PTGS2RXRARXRBRXRG

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