SCHEMBL7988057

SCHEMBL7988057

O=C(O)C(=O)Nc1cccc(N2CCCC(O)C2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
GPR35 Q9HC97 1/20 0.39
KCNQ2 O43526 4/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATM Q13315 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHEK1 O14757 1/20 0.37
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
MAP4K1 Q92918 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7988974 0.73 PTPN1 (0.41) IRAK4GAATSHRPTPRCPTPN2
SCHEMBL29627833 0.72 NOTUM (0.49) IRAK4KMT2AMEN1KDM4EGAA
SCHEMBL29749785 0.72 NOTUM (0.49) IRAK4KMT2AMEN1KDM4EGAA
SCHEMBL11835239 0.72 GPR35 (0.64) GPR35PTPRCPTPN2PTPN1PTPRB
SCHEMBL28686207 0.71 NOTUM (0.48) IRAK4KMT2AMEN1KDM4EGAA
SCHEMBL28706635 0.71 NOTUM (0.48) IRAK4KMT2AMEN1KDM4EGAA
SCHEMBL7988047 0.70 GPR35 (0.46) GPR35KMT2AMEN1KDM4EGAA
SCHEMBL23486530 0.69 CHEK1 (0.57) IRAK4KMT2AKDM4ENPSR1CHEK1
SCHEMBL29758079 0.69 CHEK1 (0.57) IRAK4KMT2AKDM4ENPSR1CHEK1
SCHEMBL7988976 0.68 GPR35 (0.42) IRAK4GPR35GAAPTPRCPTPN2

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