SCHEMBL8084773

SCHEMBL8084773

C=C(C)C(=O)Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.53
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
TDP1 Q9NUW8 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
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
LMNA P02545 2/20 0.40

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
SCHEMBL1254421 0.89 FTO (0.64) FTOMAPTHPGDMEN1HTT
SCHEMBL15759875 0.86 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL9428188 0.85 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL4733658 0.85 FTO (0.48) FTOMAPTHPGDMEN1HTT
SCHEMBL9427469 0.84 HPGD (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL5149281 0.84 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL291009 0.84 FTO (0.66) FTOMAPTHPGDMEN1HTT
SCHEMBL9280412 0.83 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL11310755 0.82 FTO (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL183875 0.82 FTO (0.52) 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
EP-0758361-B1 POLYMERISABLE COMPOSITION AND THE USE THEREOF NOVARTIS AG (CH) 2000-11-15 EP disclosed
US-5852126-A Polymerisable composition and the use thereof NOVARTIS AG (CH) 1998-12-22 US disclosed
CN-1147267-A Polymerizable composition and application thereof CIBA GEIGY AG (CH) 1997-04-09 CN disclosed