SCHEMBL6995846

SCHEMBL6995846

CCOc1c(C(=O)OCC(C)(C)C(=O)C(C)(C)C)oc2ccc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL7000662 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6996968 0.84 POLB (0.44) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7001218 0.78 KDM4E (0.64) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6998083 0.78 ICAM1 (0.43) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL10870541 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1473247 0.72 KDM4E (0.69) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27280522 0.71 KDM4E (0.74) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7074007 0.69 KDM4E (0.54) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5735991 0.68 KDM4E (0.57) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5734866 0.68 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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