SCHEMBL530116

SCHEMBL530116

O=C(O)C1=CCC2C(=O)OC3(C2=C1Cl)c1ccc(O)cc1Oc1cc(O)c(Cl)cc13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT1 Q99873 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD1 P21728 1/20 0.30

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
SCHEMBL4344779 0.81 FTO (0.38) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL147188 0.75 FTO (0.33) FTO
SCHEMBL29024846 0.69 FTO (0.57) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL11303380 0.69 FTO (0.36) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL2784206 0.69 FTO (0.34) FTO
SCHEMBL29024603 0.69 FTO (0.56) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL4064037 0.68 FTO (0.49) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL4173117 0.67 FTO (0.79) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL29871701 0.67 FTO (0.79) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL2483039 0.66 FTO (0.58) FTOHPGDMEN1MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012016145-A2 MITOCHONDRIAL APOPTOSIS-INDUCED INFLAMMATION CEDARS-SINAI MEDICAL CENTER (US) 2012-02-02 WO disclosed
EP-1651207-A4 SYSTEMS AND METHODS FOR TREATING HUMAN INFLAMMATORY AND PROLIFERATIVE DISEASES AND WOUNDS, WITH FATTY ACID METABOLISM INHIBITORS AND/OR GLYCOLYTIC INHIBITORS UNIV COLORADO (US) 2008-10-01 EP disclosed
EP-1651207-A2 SYSTEMS AND METHODS FOR TREATING HUMAN INFLAMMATORY AND PROLIFERATIVE DISEASES AND WOUNDS, WITH FATTY ACID METABOLISM INHIBITORS AND/OR GLYCOLYTIC INHIBITORS The Board of Regents of the University of Colorado (US) 2006-05-03 EP disclosed
WO-2004111199-A2 SYSTEMS AND METHODS FOR TREATING HUMAN INFLAMMATORY AND PROLIFERATIVE DISEASES AND WOUNDS, WITH FATTY ACID METABOLISM INHIBITORS AND/OR GLYCOLYTIC INHIBITORS UNIVERSITY OF COLORADO SYSTEM TECHNOLOGY (US) 2004-12-23 WO disclosed