SCHEMBL7985102

SCHEMBL7985102

CC(=O)N(CCN1CCOCC1)c1ccc(C(=O)O)c(NC(=O)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.44
SIGMAR1 Q99720 2/20 0.41
CASR P41180 5/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7988935 0.81 CASR (0.43) EPHX2CASRKMT2AMAPT
SCHEMBL8187087 0.78 CASR (0.42) SIGMAR1CASRKMT2A
SCHEMBL7988968 0.76 LMNA (0.47) EPHX2KMT2A
SCHEMBL8220670 0.71 CASR (0.41) EPHX2SIGMAR1CASR
SCHEMBL5065538 0.70 PDK1 (0.41) SIGMAR1KMT2AMAPT
SCHEMBL8194402 0.69 PTPN1 (0.44) KMT2AL3MBTL1
SCHEMBL15763198 0.68 KMT2A (0.50) EPHX2SIGMAR1KMT2AMAPTHTT
SCHEMBL1316333 0.68 HDAC1 (0.50) CASRKMT2AMAPT
SCHEMBL7985749 0.68 ABCC1 (0.43) MAPTHTTL3MBTL1
SCHEMBL15765522 0.67 MCL1 (0.43)

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