SCHEMBL7985600

SCHEMBL7985600

COc1cc(NC(=O)C(=O)O)c(C(=O)O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
MAPT P10636 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RCE1 Q9Y256 1/20 0.61
GFER P55789 1/20 0.60
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
CYP1A2 P05177 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PTPN1 P18031 1/20 0.54
LCK P06239 1/20 0.51

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
SCHEMBL8541790 0.84 KDM4E (0.65) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2841191 0.80 KDM4E (0.64) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL23458950 0.79 KDM4E (0.67) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL17627513 0.79 KDM4E (0.58) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL10489881 0.78 KDM4E (0.65) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14907131 0.78 KDM4E (0.81) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL30415497 0.77 LCK (0.72) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1417516 0.77 LCK (0.72) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL11573780 0.76 AKR1C4 (0.64) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8347879 0.76 KDM4E (0.68) KDM4EMAPTMEN1KMT2AALDH1A1

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
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed