SCHEMBL4456630

SCHEMBL4456630

COc1cc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
POLB P06746 2/20 0.71
MAPT P10636 3/20 0.67
NPC1 O15118 1/20 0.64
FFAR1 O14842 2/20 0.63
HTT P42858 2/20 0.60
HSD17B10 Q99714 3/20 0.59
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CYP2C9 P11712 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4456634 1.00 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4462340 0.86 ALDH1A1 (0.83) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4462337 0.86 ALDH1A1 (0.83) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL6410237 0.78 FFAR1 (0.61) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL6410233 0.78 FFAR1 (0.61) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4463694 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4463700 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL8782399 0.75 FFAR1 (0.70) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4462345 0.72 TSHR (0.63) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4462343 0.72 TSHR (0.63) ALDH1A1KDM4EMEN1KMT2ACYP1A2

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