SCHEMBL905219

SCHEMBL905219

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMAD3 P84022 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX12 P18054 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
BRCA1 P38398 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALB P02768 1/20 0.37

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
SCHEMBL8029312 0.86 FTO (0.47) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL15778575 0.86 FTO (0.47) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL4885766 0.86 FTO (0.47) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL11310755 0.84 FTO (0.52) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL7646663 0.84 FTO (0.52) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL183875 0.84 FTO (0.52) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL1978381 0.84 FTO (0.52) FTOHPGDMAPTMEN1CYP2C19
1,3-Propanediol SCHEMBL28547758 0.84 FTO (0.46) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL9428188 0.81 FTO (0.56) FTOHPGDMAPTMEN1CYP2C19
SCHEMBL5149281 0.80 FTO (0.55) FTOHPGDMAPTMEN1CYP2C19

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280747-A1 ANTICALINS PIERIS AG (DE) 2016-09-29 US disclosed
US-20140080177-A1 ANTICALINS PIERIS AG (DE) 2014-03-20 US disclosed
US-8536307-B2 Anticalins PIERIS AG (DE) 2013-09-17 US disclosed
US-20120244596-A1 ANTICALINS PIERIS AG 2012-09-27 US disclosed
US-8158753-B2 Anticalins PIERIS AG (DE) 2012-04-17 US disclosed
EP-1270725-B1 Anticalines PIERIS AG (DE) 2011-01-19 EP disclosed
US-20100285564-A1 Anticalins PIERIS AG 2010-11-11 US disclosed
US-7723476-B2 Anticalins PIERIS AG (DE) 2010-05-25 US disclosed
US-7250297-B1 Anticalins PIERIS AG (DE) 2007-07-31 US disclosed
US-20060058510-A1 Lipocalins having a cylindrical beta-pleated sheet of eight beta -strands connected pair-wise by four peptide loops to define a bindingpocket; sequences of bilin-binding protein of Pieris brassicae; genetic engineering; mutants; small chemical, peptide epitopes with determinable affinity >105 M-1 SKERRA, ARNE (DE) 2006-03-16 US disclosed
EP-1270725-A1 Anticalines Pieris ProteoLab AG (DE) 2003-01-02 EP disclosed
EP-1017814-B1 ANTICALINS PIERIS PROTEOLAB AG (DE) 2002-10-16 EP disclosed
EP-1017814-A1 ANTICALINS Skerra, Arne (DE) 2000-07-12 EP disclosed
WO-1999016873-A1 ANTICALINS SKERRA ARNE (DE) 1999-04-08 WO disclosed