SCHEMBL9988490

SCHEMBL9988490

COc1ccc(-n2nc(CCC(=O)NCc3ccc(C)cc3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
CCKAR P32238 7/20 0.47
ALOX5 P09917 2/20 0.47
PTGS2 P35354 1/20 0.47
MAPT P10636 2/20 0.46
RCE1 Q9Y256 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
PTGS1 P23219 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9989656 0.93 MALT1 (0.53) LMNATP53RXRARXRBRXRG
SCHEMBL9989011 0.92 RXRA (0.48) LMNATP53RXRARXRBRXRG
SCHEMBL9990141 0.92 RXRA (0.51) LMNATP53RXRARXRBRXRG
SCHEMBL9989578 0.92 RXRA (0.47) LMNATP53RXRARXRBRXRG
SCHEMBL9989263 0.90 MALT1 (0.55) TP53RXRARXRBRXRGALOX5
SCHEMBL9989050 0.90 CCKAR (0.58) RXRARXRBRXRGCCKARALOX5
SCHEMBL9989266 0.90 RXRA (0.46) LMNATP53RXRARXRBRXRG
SCHEMBL9988474 0.89 RXRA (0.51) LMNATP53RXRARXRBRXRG
SCHEMBL9989267 0.89 CCKAR (0.47) LMNATP53RXRARXRBRXRG
SCHEMBL9988536 0.89 RXRA (0.48) LMNATP53RXRARXRBRXRG

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