SCHEMBL7988935

SCHEMBL7988935

O=C(O)C(=O)Nc1cc(N(CCN2CCOCC2)S(=O)(=O)c2ccccc2)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.43
EPHX2 P34913 2/20 0.43
HTR7 P34969 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALB P02768 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 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
SCHEMBL7985102 0.81 EPHX2 (0.44) CASREPHX2KMT2AMAPT
SCHEMBL8194331 0.80 MMP3 (0.44) CASREPHX2TRPM8ALDH1A1MEN1
SCHEMBL8215760 0.73 MMP3 (0.43) CASREPHX2TRPM8ALDH1A1KEAP1
SCHEMBL7988968 0.72 LMNA (0.47) EPHX2TSHRKMT2AKDM4E
SCHEMBL15765522 0.71 MCL1 (0.43) TRPM8USP2KEAP1NFE2L2
SCHEMBL8187040 0.70 MCL1 (0.61) ALDH1A1MEN1KMT2AKDM4EPTPN1
SCHEMBL7439490 0.70 POLB (0.53) ALDH1A1TSHRKEAP1NFE2L2MEN1
SCHEMBL1015699 0.70 THRB (0.46) TRPM8USP2KEAP1NFE2L2KMT2A
SCHEMBL7432977 0.67 MAPT (0.61) ALDH1A1KEAP1NFE2L2MEN1KMT2A
SCHEMBL28092846 0.67 MEN1 (0.58) ALDH1A1MEN1KMT2AKDM4E

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