SCHEMBL6668771

SCHEMBL6668771

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CBr)CC3O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
THRB P10828 7/20 0.57
BLM P54132 7/20 0.57
RECQL P46063 6/20 0.57
BRCA1 P38398 6/20 0.57
TDP1 Q9NUW8 5/20 0.57
HIF1A Q16665 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
TOP2A P11388 5/20 0.57
MAPT P10636 4/20 0.57
MAPK1 P28482 4/20 0.57
CHRM1 P11229 3/20 0.57
TBXA2R P21731 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
ABCB1 P08183 3/20 0.57
PTGS1 P23219 3/20 0.57
STAT6 P42226 3/20 0.57
HTT P42858 3/20 0.57

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
SCHEMBL15607151 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL2632504 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL30408780 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12000782 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12250542 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL1755618 0.93 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
Daunomycinone SCHEMBL118279 0.89 S100A4 (0.66) MEN1KMT2ATHRBBLMRECQL
Daunomycinone SCHEMBL30089793 0.89 S100A4 (0.66) MEN1KMT2ATHRBBLMRECQL
Daunomycinone SCHEMBL11520484 0.89 S100A4 (0.66) MEN1KMT2ATHRBBLMRECQL
Daunomycinone SCHEMBL118280 0.89 S100A4 (0.66) MEN1KMT2ATHRBBLMRECQL

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-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed