SCHEMBL4462337

SCHEMBL4462337

COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C)C2=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
KDM4E B2RXH2 2/20 0.83
MAPT P10636 2/20 0.74
MAPK1 P28482 1/20 0.74
TSHR P16473 3/20 0.67
HSD17B10 Q99714 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
POLB P06746 3/20 0.62
RECQL P46063 1/20 0.62
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.57
ALOX15 P16050 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
MDM2 Q00987 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL4462340 1.00 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL4456630 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL4456634 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL14375767 0.82 TSHR (0.70) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL4462345 0.78 TSHR (0.63) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL4462343 0.78 TSHR (0.63) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL10114213 0.75 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL14424868 0.74 POLB (0.71) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL15003808 0.74 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL14990215 0.74 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230204593-A1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS PIOMA, INC. 2023-06-29 US disclosed
US-11513125-B2 Microvesicle histone H2AX as a biomarker for genotoxic stress PIOMA, INC. (US) 2022-11-29 US disclosed
EP-2971282-B1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS PIOMA INC (US) 2018-09-19 EP disclosed
US-20160041175-A1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS PIOMA, INC. 2016-02-11 US disclosed
EP-2971282-A1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS Pioma Inc. (US) 2016-01-20 EP disclosed
WO-2014152873-A1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS PIOMA INC. (US) 2014-09-25 WO disclosed
EP-2050452-A1 indenoisoquinolines as topoisomerase inhibitors I useful as antineoplastic agents Purdue Research Foundation (US) 2009-04-22 EP disclosed
US-6509344-B1 A method for treating a patient having cancer, said method comprising the step of administering to the patient an effective amount of a compound according to claim 1, whereupon said patient is treated for cancer, and wherein the cancer is THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-21 US disclosed