SCHEMBL4462343

SCHEMBL4462343

COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)N(C)C2=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
GAA P10253 1/20 0.62
POLB P06746 3/20 0.58
MAPT P10636 3/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
RECQL P46063 1/20 0.54
ALOX15 P16050 1/20 0.53
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4462345 1.00 TSHR (0.63) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4463700 0.88 ALDH1A1 (0.65) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4463694 0.88 ALDH1A1 (0.65) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL14375767 0.79 TSHR (0.70) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4462340 0.78 ALDH1A1 (0.83) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4462337 0.78 ALDH1A1 (0.83) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL16704291 0.74 FFAR1 (0.47) TSHRALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL18319565 0.74 FFAR1 (0.47) TSHRALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL14424868 0.72 POLB (0.71) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL14990216 0.72 ALDH1A1 (0.65) TSHRALDH1A1SMN1; SMN2KDM4EGAA

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 11 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
EP-1123099-A4 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2002-08-21 EP disclosed
EP-1123099-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2001-08-16 EP disclosed
WO-2000021537-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-04-20 WO disclosed