SCHEMBL7848210

SCHEMBL7848210

O=C(O)C(=O)Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.58
PTPN1 P18031 6/20 0.57
PTPN2 P17706 4/20 0.53
PTPRB P23467 3/20 0.53
PTPN6 P29350 3/20 0.53
PTPRC P08575 2/20 0.53
PTPRE P23469 2/20 0.53
PTPRA P18433 1/20 0.53
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
PTPN11 Q06124 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL11494816 0.85 GPR35 (0.61) GPR35PTPN1PTPN2PTPRBPTPN6
SCHEMBL17968439 0.83 AKR1C3 (0.48) GPR35PTPN1AKR1B10AKR1B1AKR1C4
SCHEMBL25235287 0.81 AKR1B10 (0.49) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL1304624 0.81 NEU3 (0.54) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL7848417 0.80 PTPN1 (0.56) GPR35PTPN1PTPN2PTPRBPTPN6
SCHEMBL7847232 0.80 ACLY (0.59) GPR35PTPN1PTPN2PTPRBPTPN6
SCHEMBL3896659 0.80 AKR1B10 (0.47) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL7846225 0.80 GRIK1 (0.64) PTPN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3896652 0.80 AKR1B10 (0.47) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL9353927 0.79 AKR1C3 (0.49) PTPN1AKR1B10AKR1B1AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed