SCHEMBL5793554

SCHEMBL5793554

C=COC(=O)OCc1ccc(OC(=O)OC=C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
THRB P10828 2/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.35
ELANE P08246 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8129509 0.84 MEN1 (0.52) KMT2AMEN1
SCHEMBL16583199 0.84 KMT2A (0.42) THRBKMT2AMEN1HTTHSD17B10
SCHEMBL8822688 0.83 THRB (0.47) HTR2ATHRBKMT2AMEN1ALDH1A1
SCHEMBL5793033 0.81 ALDH1A1 (0.53) KMT2AALDH1A1HCAR2
Alcohol SCHEMBL8822687 0.79 KMT2A (0.46) KMT2AMEN1ALDH1A1
SCHEMBL175910 0.79 HTR2A (0.49) HTR2ATHRBKMT2AMEN1HTT
SCHEMBL16596397 0.77 ELANE (0.38) THRBKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL16445450 0.75 LMNA (0.53) THRBKMT2AMEN1HTTALDH1A1
SCHEMBL16561456 0.75 ELANE (0.53) KMT2AMEN1ELANEMAPT
SCHEMBL1888207 0.75 ALDH1A1 (0.42) THRBKMT2AMEN1ALDH1A1ELANE

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
WO-2003057687-A1 METHODS FOR PREPARING DOXORUBICIN DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO claimed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO claimed
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed
WO-2003057687-A1 METHODS FOR PREPARING DOXORUBICIN DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed