SCHEMBL4278233

SCHEMBL4278233

O=C1OC2(c3cc(Cl)c(O)cc3Oc3cc(O)c(Cl)cc32)c2cccc(CCl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.39
TYMS P04818 3/20 0.39
FTO Q9C0B1 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RECQL P46063 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMAD3 P84022 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 2/20 0.39
CYP2C19 P33261 1/20 0.39
PRMT1 Q99873 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 4/20 0.38
BRCA1 P38398 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL336896 0.83 FTO (0.59) DHFRTYMSFTOHPGDMEN1
SCHEMBL12488503 0.82 HPGD (0.51) DHFRTYMSFTOHPGDMEN1
SCHEMBL15349331 0.82 GSTP1 (0.48) FTOHPGDMEN1KMT2ARECQL
SCHEMBL1468956 0.81 ALDH1A1 (0.40) DHFRTYMSFTOHPGDMEN1
SCHEMBL19211134 0.80 DHFR (0.47) DHFRTYMSFTOHPGDMEN1
SCHEMBL5316637 0.80 FTO (0.41) DHFRTYMSFTOHPGDMEN1
SCHEMBL6338860 0.79 LCK (0.39) DHFRTYMSFTOHPGDMEN1
SCHEMBL1689593 0.79 ALDH1A1 (0.44) DHFRTYMSFTOHPGDMEN1
Dichlorofluorescein SCHEMBL29364373 0.77 MAPT (0.64) DHFRTYMSFTOHPGDMEN1
Dichlorofluorescein SCHEMBL30606648 0.77 MAPT (0.64) DHFRTYMSFTOHPGDMEN1

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-2018119432-A1 ANGIOGENIN-BORONIC ACID CONJUGATES WITH SELECTIVE NEUROPROTECTION ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-06-28 WO disclosed
US-8193160-B2 System for inhibiting pathogenicity in the rice-blast fungus Magnaporthe grisea TEMASEK LIFE SCIENCES LABORATORY (SG) 2012-06-05 US disclosed
US-20090099088-A1 System for Inhibiting Pathogenicity in the Rice-Blast Fungus Magnaporthe Grisea TEMASEK LIFE SCIENCES LABORATORY LIMITED (SG) 2009-04-16 US disclosed