SCHEMBL6993045

SCHEMBL6993045

CCOC(=O)c1sc2ccc(OC)cc2c1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MAPT P10636 7/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ICAM1 P05362 2/20 0.51
SELE P16581 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
VCAM1 P19320 1/20 0.50
KMT2A Q03164 4/20 0.49
NOD2 Q9HC29 1/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6995489 0.86 EDNRA (0.54) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL6998083 0.85 ICAM1 (0.43) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL14691163 0.85 MAPT (0.58) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL6992593 0.84 ICAM1 (0.45) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL6196210 0.84 RXFP1 (0.53) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL17149273 0.80 KMT2A (0.45) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL9377114 0.79 EDNRA (0.58) HPGDICAM1SELELMNAVCAM1
SCHEMBL31351340 0.78 HPGD (0.53) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL26661113 0.78 HPGD (0.53) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL4633538 0.77 NMT1 (0.62) ALDH1A1MAPTHPGDKDM4ELMNA

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