SCHEMBL7984952

SCHEMBL7984952

CN(CCO)c1cccc(NC(=O)C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.43
PTPN1 P18031 6/20 0.38
PTPN2 P17706 2/20 0.38
PTPRC P08575 1/20 0.38
PTPRB P23467 1/20 0.38
PTPRE P23469 1/20 0.38
PTPN6 P29350 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PTPRF P10586 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTPRA P18433 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL11835239 0.75 GPR35 (0.64) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL11445356 0.74 GPR35 (0.47) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL7974559 0.71 KDM4E (0.57) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL8194402 0.70 PTPN1 (0.44) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL11741095 0.70 GPR35 (0.52) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL7988900 0.70 GPR35 (0.56) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL8187036 0.69 LMNA (0.51) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL7988973 0.68 GPR35 (0.65) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL13491924 0.67 OPRK1 (0.46) ALDH1A1RAB9AMAPT
SCHEMBL11628431 0.67 GPR35 (0.44) GPR35PTPN1PTPN2ALDH1A1L3MBTL1

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