SCHEMBL3248111

SCHEMBL3248111

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2c(CCl)cccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.67
ALDH1A1 P00352 4/20 0.65
MAPT P10636 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 2/20 0.65
LMNA P02545 2/20 0.65
USP2 O75604 1/20 0.65
CYP3A4 P08684 2/20 0.47
FTO Q9C0B1 4/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMAD3 P84022 1/20 0.39
PRMT1 Q99873 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5445148 0.87 MEN1 (0.68) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15349331 0.84 GSTP1 (0.48) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1029702 0.83 ALDH1A1 (0.67) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL284851 0.82 MAPT (0.65) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9561179 0.82 ALDH1A1 (0.62) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL336896 0.82 FTO (0.59) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7723312 0.81 ALDH1A1 (0.61) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18009919 0.81 MAPT (0.66) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL329253 0.80 GSTP1 (1.00) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29355604 0.80 GSTP1 (1.00) GSTP1ALDH1A1MAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2107119-B1 Composition for cell permeabilization comprising NOG, HMP, rubidium chloride and/or lithium chloride for detecting living cells on a membrane MILLIPORE CORP (US) 2010-05-12 EP claimed
EP-1448299-A2 SAMPLE DISPENSING DEVICE Evotec OAI AG (DE) 2004-08-25 EP disclosed
EP-1392288-A2 MEDICAMENT CONTAINING AN EFFECTOR OF THE GLUTATHIONE METABOLISM TOGETHER WITH $G(A)-LIPOIC ACID FOR TREATING DIABETES MELLITUS Esparma GmbH (DE) 2004-03-03 EP disclosed
WO-2003037513-A2 SAMPLE DISPENSING DEVICE EVOTEC OAI AG (DE) 2003-05-08 WO disclosed
WO-2002096398-A2 MEDICAMENT CONTAINING AN EFFECTOR OF THE GLUTATHIONE METABOLISM TOGETHER WITH $G(A)-LIPOIC ACID FOR TREATING DIABETES MELLITUS ESPARMA GMBH (DE) 2002-12-05 WO disclosed