SCHEMBL6918987

SCHEMBL6918987

COC(O)Cn1ccc2cccc(C(=O)O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
F9 P00740 2/20 0.43
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
PLAT P00750 2/20 0.43
F11 P03951 2/20 0.43
KLKB1 P03952 2/20 0.43
F7 P08709 2/20 0.43
CFD P00746 1/20 0.43
ABCB11 O95342 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4D Q08499 1/20 0.43
PTGER4 P35408 6/20 0.39
PTGDR Q13258 5/20 0.39
BACE1 P56817 1/20 0.37
PTGER2 P43116 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NR4A1 P22736 1/20 0.36

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
SCHEMBL28228801 0.80 CNR2 (0.44) PTGER4PTGDRPTGER2USP2MAPK1
SCHEMBL1078697 0.77 KDM4E (0.38) PTGER4PTGDRHTR2AHTR2CNR4A2
SCHEMBL1271088 0.75 PTGER4 (0.54) PTGER4PTGDRPTGER2NOTUMTBXA2R
SCHEMBL12932033 0.74 FABP4 (0.54) PTGER4PTGER2USP2MAPK1HSD17B10
SCHEMBL9236518 0.74 NR4A1 (0.40) F2F9F10PLGPLAU
SCHEMBL7652408 0.74 NOTUM (0.56) PTGER4PTGDRPTGER2NOTUMTBXA2R
SCHEMBL13557126 0.73 MAPK1 (0.43) PTGER4PTGDRNR4A1NR4A2NR4A3
SCHEMBL7428564 0.73 NPC1 (0.39) F2F9F10PLGPLAU
SCHEMBL12900285 0.73 PTGER4 (0.67) PTGER4PTGDRPTGER2PTGER3
SCHEMBL7679127 0.72 KMT2A (0.41) F2F9F10PLGPLAU

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-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 WO disclosed