SCHEMBL9779342

SCHEMBL9779342

CCC(C)COc1ccc(OC(=O)c2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HTT P42858 1/20 0.43
GCGR P47871 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.40
GPR88 Q9GZN0 4/20 0.38
DPP4 P27487 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL9779619 1.00 FFAR1 (0.44) FFAR1HSP90AA1HSP90AB1HTTGCGR
SCHEMBL20931321 0.84 MAPT (0.55) FFAR1MAPTKMT2AGPR88LMNA
SCHEMBL9437152 0.83 MAPT (0.60) HSP90AA1HSP90AB1MAPTPOLBCA12
SCHEMBL9626577 0.83 MAPT (0.60) HSP90AA1HSP90AB1MAPTPOLBCA12
SCHEMBL9638787 0.81 MAPT (0.50) FFAR1MAPTKMT2ALMNACA12
SCHEMBL6936519 0.81 MAPT (0.50) FFAR1MAPTKMT2ALMNACA12
SCHEMBL9650841 0.80 LMNA (0.60) MAPTKMT2ALMNAPOLBPRSS1
SCHEMBL9632653 0.80 FFAR1 (0.44) FFAR1MAPTKMT2APOLBPRSS1
SCHEMBL12154317 0.79 MAPT (0.50) FFAR1MAPTKMT2ALMNAPOLB
SCHEMBL9474247 0.76 FFAR1 (0.48) FFAR1MAPTKMT2AGPR88LMNA

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
US-5072021-A Liquid crystals MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-10 US disclosed