SCHEMBL7988976

SCHEMBL7988976

O=C(O)C(=O)Nc1cccc(NC2CCCCC2O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.42
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
GAA P10253 2/20 0.38
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPRB P23467 1/20 0.37
PTPRE P23469 1/20 0.37
PTPN6 P29350 1/20 0.37
IRAK4 Q9NWZ3 8/20 0.36
CNR2 P34972 1/20 0.36
PTPRF P10586 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL7988047 0.83 GPR35 (0.46) GPR35LPAR2LPAR3GAAPTPN1
SCHEMBL11835239 0.78 GPR35 (0.64) GPR35LPAR2LPAR3PTPN1PTPRC
SCHEMBL7985103 0.74 PTGS1 (0.45) GAAPTPN1PTPRCPTPN2PTPRB
SCHEMBL17766594 0.72 PTGS1 (0.39) GAAALDH1A1CNR2
SCHEMBL11035211 0.70 GAA (0.51) GAAALDH1A1IRAK4
SCHEMBL17766567 0.69 PTGS1 (0.42) GAAALDH1A1
SCHEMBL7986802 0.69 METAP2 (0.47) GPR35GAAPTPN1ALDH1A1HTT
SCHEMBL7988900 0.69 GPR35 (0.56) GPR35LPAR2LPAR3PTPN1PTPRC
SCHEMBL8187036 0.68 LMNA (0.51) GPR35LPAR2LPAR3PTPN1ALDH1A1
SCHEMBL7988057 0.68 IRAK4 (0.39) GPR35GAAPTPN1PTPRCPTPN2

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