SCHEMBL5328808

SCHEMBL5328808

CCC(=O)c1ccc2c(c1C(=O)CC)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
SMAD3 P84022 1/20 0.51
PRMT1 Q99873 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.49
ALOX12 P18054 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
BRCA1 P38398 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL5328577 0.89 FTO (0.49) FTOMAPTHPGDMEN1HTT
SCHEMBL2409136 0.87 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL20438526 0.83 FTO (0.50) FTOMAPTHPGDMEN1HTT
SCHEMBL384698 0.82 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL6037012 0.81 ALDH1A1 (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL2407742 0.80 HPGD (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL6248294 0.79 FTO (0.53) FTOMAPTHPGDMEN1HTT
SCHEMBL7907421 0.78 ALDH1A1 (0.53) FTOMAPTHPGDMEN1HTT
SCHEMBL5496952 0.78 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL2989053 0.78 HPGD (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11085065-B2 Phenotypic engineering of spores Rotman, M. Boris (US) 2021-08-10 US claimed
US-20170292143-A1 Phenotypic engineering of spores SUSSMAN, Daniel J. 2017-10-12 US claimed
US-11085065-B2 Phenotypic engineering of spores Rotman, M. Boris (US) 2021-08-10 US disclosed
US-20170292143-A1 Phenotypic engineering of spores SUSSMAN, Daniel J. 2017-10-12 US disclosed
WO-2007139601-A2 PHENOTYPIC ENGINEERING OF SPORE BCR DIAGNOSTICS, INC. (US) 2007-12-06 WO disclosed
US-20070238145-A1 Phenotypic engineering of spores BCR DIAGNOSTICS, INC. 2007-10-11 US disclosed