SCHEMBL7001218

SCHEMBL7001218

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 10/20 0.53
HPGD P15428 7/20 0.52
HSD17B10 Q99714 5/20 0.52
SMN1; SMN2 Q16637 9/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
MAPT P10636 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
CASP3 P42574 1/20 0.48

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
SCHEMBL7074007 0.90 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6234986 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7000662 0.87 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9433280 0.85 ANO1 (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5733487 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5733297 0.83 NPC1 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5742611 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4770113 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5735830 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4762869 0.82 NPC1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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