SCHEMBL8204874

SCHEMBL8204874

O=C(O)CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.39
KIF11 P52732 1/20 0.39
TK1 P04183 2/20 0.37
SLC6A1 P30531 3/20 0.36
PLA2G2A P14555 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MMP12 P39900 2/20 0.33
CTSK P43235 1/20 0.33
HIF1A Q16665 1/20 0.33
ELANE P08246 1/20 0.32
GLS O94925 1/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
SLC6A11 P48066 1/20 0.32

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
SCHEMBL4186763 0.84 DUT (0.44) DUTKIF11TK1SLC6A1PLA2G2A
SCHEMBL4186770 0.84 DUT (0.44) DUTKIF11TK1SLC6A1PLA2G2A
SCHEMBL26439425 0.77 PLA2G2A (0.42) DUTKIF11TK1SLC6A1PLA2G2A
SCHEMBL4191209 0.75 TK1 (0.46) DUTKIF11TK1CYP2C19CYP2C9
SCHEMBL4925573 0.75 TK1 (0.46) DUTKIF11TK1CYP2C19CYP2C9
SCHEMBL4926228 0.75 TK1 (0.46) DUTKIF11TK1CYP2C19CYP2C9
SCHEMBL13377619 0.75 DUT (0.41) DUTKIF11TK1SLC6A1PLA2G2A
SCHEMBL15942778 0.73 PLA2G2A (0.44) KIF11PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL2491921 0.72 KIF11 (0.63) DUTKIF11TK1SLC6A1CYP2C19
SCHEMBL5467590 0.72 SLC22A6 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776899-B1 Intermediates and their use to prepare N,N'-bridged bisindolylmaleimides LILLY CO ELI (US) 2000-03-29 EP disclosed
US-5721272-A PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1998-02-24 US disclosed
US-5665877-A Synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
EP-0776899-A1 Intermediates and their use to prepare N,N'-bridged bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-06-04 EP disclosed
WO-1997019080-A1 NOVEL INTERMEDIATES AND THEIR USE TO PREPARE N,N'-BRIDGED BISINDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1997-05-29 WO disclosed
US-5614647-A Intermediates for the synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
EP-0657411-A1 Improved synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed