SCHEMBL6995489

SCHEMBL6995489

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.54
ICAM1 P05362 2/20 0.53
SELE P16581 2/20 0.53
VCAM1 P19320 1/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
MPO P05164 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL9362508 0.89 EDNRA (0.52) EDNRAICAM1SELEVCAM1MAPT
SCHEMBL30724572 0.87 ICAM1 (0.58) EDNRAICAM1SELEVCAM1MAPT
SCHEMBL6993045 0.86 ALDH1A1 (0.51) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL17173230 0.84 MCL1 (0.48) EDNRAICAM1SELEKMT2AMAPT
SCHEMBL8920574 0.84 EDNRA (0.50) EDNRAICAM1SELEVCAM1MEN1
SCHEMBL9374943 0.84 EDNRA (0.71) EDNRAICAM1SELEVCAM1MAPT
SCHEMBL11800981 0.83 EDNRA (0.46) EDNRAICAM1SELEKMT2AMAPT
SCHEMBL15697543 0.81 EDNRA (0.44) EDNRAMEN1KMT2AMAPTKDM4E
SCHEMBL5040288 0.81 ICAM1 (0.78) EDNRAICAM1SELEVCAM1KMT2A
SCHEMBL5219829 0.81 EDNRA (0.54) EDNRAICAM1SELEVCAM1MAPT

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