SCHEMBL3677892

SCHEMBL3677892

CCOC(=O)Oc1cc(OC(=O)OCC)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.38
PDE4D Q08499 1/20 0.38
SOAT1 P35610 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALPL P05186 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HPGDS O60760 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
CUL4A Q13619 2/20 0.33

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
SCHEMBL7102277 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EPDE4DSOAT1L3MBTL1
SCHEMBL2592014 0.85 PDE4D (0.42) ALDH1A1KDM4EPDE4DSOAT1L3MBTL1
SCHEMBL10964577 0.80 HCAR3 (0.45) ALDH1A1PDE4DSOAT1L3MBTL1NPSR1
SCHEMBL6630708 0.80 ALOX5 (0.38) ALDH1A1KDM4EPDE4DSOAT1L3MBTL1
SCHEMBL10673565 0.76 GAA (0.49) L3MBTL1ALPLNPC1MAPTRAB9A
SCHEMBL3164864 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EPDE4DSOAT1KMT2A
SCHEMBL8719841 0.71 PKM (0.48) ALDH1A1KDM4EPDE4DSOAT1KMT2A
SCHEMBL7973627 0.71 ALDH1A1 (0.48) ALDH1A1SOAT1L3MBTL1KMT2AMEN1
SCHEMBL377046 0.71 HCAR2 (0.32)
SCHEMBL3824624 0.69 ALDH1A1 (0.41) ALDH1A1KDM4ESOAT1L3MBTL1KMT2A

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-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
EP-2176264-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE Bayer Schering Pharma AG (DE) 2010-04-21 EP disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed