SCHEMBL9016356

SCHEMBL9016356

O=C1CCC(=O)c2c1c(N=C=S)cc1c2C(=O)OC12c1ccc(O)cc1Oc1cc(O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMAD3 P84022 1/20 0.48
PRMT1 Q99873 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
BRCA1 P38398 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD1 P21728 2/20 0.34

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
SCHEMBL10873143 0.85 FTO (0.50) FTOMAPTHPGDMEN1HTT
SCHEMBL6810883 0.84 FTO (0.49) FTOMAPTHPGDMEN1HTT
SCHEMBL29472215 0.82 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL16544 0.82 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL5664537 0.81 FTO (0.51) FTOMAPTHPGDMEN1HTT
SCHEMBL9013831 0.81 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL10486825 0.81 FTO (0.54) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL5440613 0.81 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL11220390 0.81 FTO (0.50) FTOMAPTHPGDMEN1HTT
SCHEMBL8515794 0.81 FTO (0.50) FTOMAPTHPGDMEN1HTT

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
US-5556748-A Methods of sandwich hybridization for the quantitative analysis of oligonucleotides XENOPORE CORPORATION (US) 1996-09-17 US disclosed
EP-0605430-A1 KIT FOR LIQUID PHASE QUANTITATIVE ANALYSIS OF OLIGONUCLEOTIDES AND METHOD OF USE THEREOF XENOPORE CORPORATION (US) 1994-07-13 EP disclosed
EP-0596915-A1 DEVICE FOR OLIGONUCLEOTIDE ASSAY AND METHOD OF PREPARATION THEREOF XENOPORE CORPORATION (US) 1994-05-18 EP disclosed
WO-1993003181-A1 DEVICE FOR OLIGONUCLEOTIDE ASSAY AND METHOD OF PREPARATION THEREOF XENOPORE CORPORATION (US) 1993-02-18 WO disclosed
WO-1993003182-A1 KIT FOR LIQUID PHASE QUANTITATIVE ANALYSIS OF OLIGONUCLEOTIDES AND METHOD OF USE THEREOF XENOPORE CORPORATION (US) 1993-02-18 WO disclosed