SCHEMBL9989576

SCHEMBL9989576

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(OCCO)cc2)n1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.52
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
SRC P12931 2/20 0.43
FABP3 P05413 2/20 0.42
FABP4 P15090 1/20 0.42
LMNA P02545 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR7 P34969 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL9988518 0.93 MALT1 (0.52) MALT1CACNA1GCACNA1HTSHRRECQL
SCHEMBL9988467 0.92 MALT1 (0.45) MALT1TSHRRXRARXRBRXRG
SCHEMBL9989257 0.92 MALT1 (0.51) MALT1RXRARXRBRXRGSRC
SCHEMBL9989656 0.90 MALT1 (0.53) MALT1CACNA1GCACNA1HTSHRRXRA
SCHEMBL9988512 0.90 MALT1 (0.57) MALT1CACNA1GCACNA1HRXRARXRB
SCHEMBL9988373 0.88 MALT1 (0.54) MALT1CACNA1GCACNA1HRXRARXRB
SCHEMBL9989263 0.88 MALT1 (0.55) MALT1CACNA1GCACNA1HTSHRRXRA
SCHEMBL9989721 0.87 MALT1 (0.56) MALT1CACNA1GCACNA1HRXRARXRB
SCHEMBL9990141 0.86 RXRA (0.51) MALT1RXRARXRBRXRGLMNA
SCHEMBL9988567 0.85 MALT1 (0.55) MALT1RXRARXRBRXRGSRC

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 claimed