SCHEMBL1420786

SCHEMBL1420786

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc(-c3ccc(O)cc3)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.67
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
CYP2C19 P33261 1/20 0.67
RECQL P46063 1/20 0.67
BLM P54132 1/20 0.67
SMAD3 P84022 1/20 0.67
PRMT1 Q99873 1/20 0.67
ACE2 Q9BYF1 1/20 0.67
ALDH1A1 P00352 3/20 0.60
ALOX12 P18054 2/20 0.60
ALOX15 P16050 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2C9 P11712 1/20 0.60
BRCA1 P38398 1/20 0.60
LMNA P02545 3/20 0.47

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
SCHEMBL4452146 0.94 FTO (0.70) FTOMAPTMEN1KMT2AHPGD
SCHEMBL1420636 0.93 FTO (0.65) FTOMAPTMEN1KMT2AHPGD
SCHEMBL6662140 0.92 FTO (0.74) FTOMAPTMEN1KMT2AHPGD
SCHEMBL1420534 0.86 FTO (0.70) FTOMAPTMEN1KMT2AHPGD
SCHEMBL1908131 0.84 HPGD (0.63) FTOMAPTMEN1KMT2AHPGD
SCHEMBL2332830 0.84 FTO (0.67) FTOMAPTMEN1KMT2AHPGD
SCHEMBL3189664 0.84 FTO (0.66) FTOMAPTMEN1KMT2AHPGD
SCHEMBL27956847 0.83 FTO (0.65) FTOMAPTMEN1KMT2AHPGD
SCHEMBL3459139 0.83 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
SCHEMBL4743773 0.82 FTO (0.60) FTOMAPTMEN1KMT2AHPGD

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
WO-2013063405-A1 METHODS OF TREATING GRAM-NEGATIVE MICROBIAL INFECTIONS TRUSTEES OF BOSTON UNIVERSITY (US) 2013-05-02 WO disclosed
EP-2298327-A1 ANTI-TUMOR AGENT Toto Ltd. (JP) 2011-03-23 EP disclosed
US-20090297620-A1 Anti-Tumor Agent TOTO LTD. (JP) 2009-12-03 US disclosed