SCHEMBL4885766

SCHEMBL4885766

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.47
HPGD P15428 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 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
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
BRCA1 P38398 1/20 0.45
CETP P11597 1/20 0.42

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 1.00 FTO (0.47) FTOHPGDTDP1MAPTMEN1
SCHEMBL15778575 1.00 FTO (0.47) FTOHPGDTDP1MAPTMEN1
1,3-Propanediol SCHEMBL28547758 0.90 FTO (0.46) FTOHPGDTDP1MAPTMEN1
SCHEMBL905219 0.86 FTO (0.47) FTOHPGDTDP1MAPTMEN1
SCHEMBL11310755 0.84 FTO (0.52) FTOHPGDTDP1MAPTMEN1
SCHEMBL1978381 0.84 FTO (0.52) FTOHPGDTDP1MAPTMEN1
SCHEMBL7646663 0.84 FTO (0.52) FTOHPGDTDP1MAPTMEN1
SCHEMBL183875 0.84 FTO (0.52) FTOHPGDTDP1MAPTMEN1
SCHEMBL887742 0.83 FTO (0.49) FTOHPGDTDP1MAPTMEN1
SCHEMBL1254421 0.82 FTO (0.64) FTOHPGDTDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187502-A1 ASSESSMENT AND MITIGATION OF OXIDATIVE STRESS IN SKIN GARAY MICHELLE 2008-08-07 US disclosed
EP-1953548-A2 Assessment and mitigation of oxidative stress in skin Johnson & Johnson Consumer Companies, Inc. (US) 2008-08-06 EP disclosed
US-20040259187-A1 Methods to measure lipid antioxidant activity ALDINI GIANCARLO (IT) 2004-12-23 US disclosed
US-20020182736-A1 Methods to measure lipid antioxidant activity TRUSTEES OF TUFTS COLLEGE 2002-12-05 US disclosed
WO-2002082093-A2 METHODS TO MEASURE LIPID ANTIOXIDANT ACTIVITY TUFTS UNIVERSITY (US) 2002-10-17 WO disclosed