SCHEMBL7985103

SCHEMBL7985103

O=C(O)C(=O)Nc1cc(NC2CCCCC2O)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PTPN1 P18031 4/20 0.42
GRIK1 P39086 5/20 0.39
PTPRC P08575 2/20 0.39
PTPN2 P17706 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRE P23469 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPRA P18433 1/20 0.39
SYK P43405 4/20 0.39
GFER P55789 1/20 0.38
GAA P10253 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7991868 0.84 PTPN1 (0.46) PTGS1PTGS2PTPN1GRIK1PTPRC
SCHEMBL7988976 0.74 GPR35 (0.42) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7984956 0.73 KDM4C (0.49) PTPN1GRIK1PTPRCPTPN2PTPRB
SCHEMBL7985843 0.71 ALOX15 (0.47) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7848210 0.67 GPR35 (0.58) PTPN1GRIK1PTPRCPTPN2PTPRB
SCHEMBL11035209 0.67 AKR1C3 (0.49) PTGS1PTGS2GFERHSD17B10
SCHEMBL7985749 0.67 ABCC1 (0.43) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7988974 0.67 PTPN1 (0.41) PTPN1PTPRCPTPN2PTPRBPTPRE
2-(Phenylamino)Cyclohexanol SCHEMBL432136 0.66 ALDH1A1 (0.51) PTGS1PTGS2GFERGAA
2-(Phenylamino)Cyclohexanol SCHEMBL432132 0.66 ALDH1A1 (0.51) PTGS1PTGS2GFERGAA

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
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