SCHEMBL9526803

SCHEMBL9526803

CCCC(c1ccc(C(=O)NS(=O)(=O)c2ccccc2C)cc1OC)c1c[nH]c2ccc(CC3CCN(CCC)C3=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
XPO1 O14980 1/20 0.39
SLC22A2 O15244 1/20 0.39
ABCC4 O15439 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
RARB P10826 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR1 P21554 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPK3 P27361 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL9526614 0.96 PLA2G4A (0.39) MEN1PTGESXPO1SLC22A2ABCC4
SCHEMBL9528072 0.94 MEN1 (0.39) MEN1PTGESXPO1SLC22A2ABCC4
SCHEMBL9527270 0.94 MEN1 (0.40) MEN1PTGESXPO1SLC22A2ABCC4
SCHEMBL9528457 0.93 MEN1 (0.40) MEN1PTGESXPO1SLC22A2ABCC4
SCHEMBL9526915 0.92 CYSLTR1 (0.40) MEN1PTGESXPO1SLC22A2ABCC4
SCHEMBL9527280 0.86 B3GAT3 (0.34)
SCHEMBL9527712 0.86 NPC1 (0.35)
SCHEMBL9527977 0.85 CYSLTR1 (0.41) MEN1PTGESXPO1SLC22A2ABCC4
SCHEMBL9373253 0.81
SCHEMBL9527214 0.81 HTR7 (0.34) MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP claimed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US claimed
JP-2231485-A None JP disclosed
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
JP-H02231485-A CARBOCYCLIC AMIDE, PRODUCTION AND INTERMEDIATE THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES ICI AMERICAS INC 1990-09-13 JP disclosed