SCHEMBL8215926

SCHEMBL8215926

O=C1OC2(c3ccc(O)cc3Oc3cc(OS(=O)(=O)O)ccc32)c2cccc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
SMAD3 P84022 2/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PRMT1 Q99873 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
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
LMNA P02545 2/20 0.41

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
SCHEMBL5694289 0.90 FTO (0.46) FTOMAPTHPGDMEN1HTT
SCHEMBL8207575 0.89 FTO (0.50) FTOMAPTHPGDMEN1HTT
SCHEMBL1682613 0.87 FTO (0.63) FTOMAPTHPGDMEN1HTT
SCHEMBL5477976 0.86 HPGD (0.48) FTOMAPTHPGDMEN1HTT
SCHEMBL19549151 0.84 MEN1 (0.42) FTOMAPTHPGDMEN1HTT
SCHEMBL9301961 0.84 FTO (0.46) FTOMAPTHPGDMEN1HTT
SCHEMBL498694 0.83 FTO (0.73) FTOMAPTHPGDMEN1HTT
SCHEMBL7612094 0.83 FTO (0.48) FTOMAPTHPGDMEN1HTT
SCHEMBL19549132 0.79 FTO (0.57) FTOMAPTHPGDMEN1HTT
SCHEMBL9218991 0.79 FTO (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1285001-A Methods for simultaneous identification of novel biological targets and lead structures for drug development SEPRACOR INC (US) 2001-02-21 CN disclosed
EP-1049796-A1 METHODS FOR THE SIMULTANEOUS IDENTIFICATION OF NOVEL BIOLOGICAL TARGETS AND LEAD STRUCTURES FOR DRUG DEVELOPMENT SEPRACOR, INC. (US) 2000-11-08 EP disclosed
WO-1999031267-A1 METHODS FOR THE SIMULTANEOUS IDENTIFICATION OF NOVEL BIOLOGICAL TARGETS AND LEAD STRUCTURES FOR DRUG DEVELOPMENT SEPRACOR INC. (US) 1999-06-24 WO disclosed