SCHEMBL7988047

SCHEMBL7988047

O=C(O)C(=O)Nc1cccc(NC2CCCC2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
HCAR3 P49019 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 3/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPRE P23469 1/20 0.40
PTPN6 P29350 1/20 0.40
EPHX1 P07099 2/20 0.39
RAB9A P51151 3/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL7988976 0.83 GPR35 (0.42) GPR35LPAR2LPAR3HTTGAA
SCHEMBL11835239 0.82 GPR35 (0.64) GPR35LPAR2LPAR3PTPN1PTPRC
SCHEMBL7986802 0.79 METAP2 (0.47) GPR35KMT2AMEN1HTTKDM4E
SCHEMBL15954011 0.74 KDM4E (0.42) GPR35SMN1; SMN2KMT2AMEN1HTT
SCHEMBL7988900 0.73 GPR35 (0.56) GPR35KMT2ALPAR2LPAR3MEN1
SCHEMBL3980325 0.72 TP53 (0.50) SMN1; SMN2KMT2AMEN1HTTHCAR3
SCHEMBL8187036 0.72 LMNA (0.51) GPR35LPAR2LPAR3HTTKDM4E
SCHEMBL7991868 0.71 PTPN1 (0.46) SMN1; SMN2HCAR3MAPTPTPN1PTPRC
SCHEMBL7988973 0.71 GPR35 (0.65) GPR35KMT2ALPAR2LPAR3MEN1
SCHEMBL7974559 0.71 KDM4E (0.57) GPR35SMN1; SMN2KMT2ALPAR2LPAR3

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