SCHEMBL7991868

SCHEMBL7991868

O=C(O)C(=O)Nc1cc(NC2CCCC2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PTPRC P08575 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPRB P23467 2/20 0.42
PTPRE P23469 2/20 0.42
PTPN6 P29350 2/20 0.42
PTPRA P18433 1/20 0.42
IDO1 P14902 1/20 0.40
GRIK1 P39086 1/20 0.40
HCAR3 P49019 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL7985103 0.84 PTGS1 (0.45) PTPN1PTGS1PTGS2PTPRCPTPN2
SCHEMBL7985843 0.80 ALOX15 (0.47) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7984956 0.77 KDM4C (0.49) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL12316367 0.73 ALDH1A1 (0.49) PTGS1PTGS2RAB9A
SCHEMBL22097616 0.72 HCAR3 (0.61) HCAR3CISD1CA12CA1CA2
SCHEMBL7988047 0.71 GPR35 (0.46) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL495805 0.71 TSHR (0.54) GRIK1CISD1TSHRHSD17B10CA12
SCHEMBL22097712 0.71 HCAR3 (0.59) HCAR3CISD1CA12CA1CA2
SCHEMBL7848210 0.71 GPR35 (0.58) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7985749 0.70 ABCC1 (0.43) PTPN1PTPRCPTPN2PTPRBPTPRE

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