SCHEMBL6998083

SCHEMBL6998083

CCOc1c(C(=O)OCC(C)(C)C(=O)C(C)(C)C)sc2ccc(OC)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.43
SELE P16581 2/20 0.43
VCAM1 P19320 1/20 0.42
MPO P05164 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MAPT P10636 8/20 0.39
LMNA P02545 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CLK1 P49759 1/20 0.38
KMT2A Q03164 3/20 0.37
NOD2 Q9HC29 1/20 0.36
CYP1A2 P05177 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
SCHEMBL6993045 0.85 ALDH1A1 (0.51) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6992593 0.84 ICAM1 (0.45) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6995846 0.78 POLB (0.44) GAAALDH1A1KDM4EHPGDNPC1
SCHEMBL6995489 0.78 EDNRA (0.54) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6998647 0.75 CLK1 (0.53) CLK1
SCHEMBL14691163 0.71 MAPT (0.58) ICAM1SELEVCAM1MAPTLMNA
SCHEMBL9377114 0.71 EDNRA (0.58) ICAM1SELEVCAM1LMNAHPGD
SCHEMBL6196210 0.70 RXFP1 (0.53) ICAM1SELEVCAM1MAPTLMNA
SCHEMBL17149273 0.69 KMT2A (0.45) ICAM1SELEMAPTLMNAL3MBTL1
SCHEMBL15697611 0.69 ALDH1A1 (0.45) MAPTLMNAGAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943618-B1 1,2-dioxetane derivative MATSUMOTO MASAKATSU (JP) 2003-08-27 EP disclosed
US-6218135-B1 EASY TO HANDLE, HEAT STABLE, AND HIGH IN EMISSION EFFICIENCY; FOR IMMUNOASSAYS Matsumoto, Masakatsu (JP) 2001-04-17 US disclosed
EP-0943618-A2 1,2-dioxetane derivative FUJIREBIO INC. (JP) 1999-09-22 EP disclosed