SCHEMBL7837432

SCHEMBL7837432

CC(C)(C)OC(=O)C(=O)Nc1nccnc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
METAP1 P53582 1/20 0.33
KMT2A Q03164 2/20 0.33
ATR Q13535 1/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.31
BLM P54132 1/20 0.31
AGER Q15109 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
PKM P14618 1/20 0.31
XDH P47989 1/20 0.30

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
SCHEMBL18770224 0.84 METAP1 (0.42) MAPTTSHRKDM4EALDH1A1ALOX15
SCHEMBL7837545 0.78 DHODH (0.49) MAPTTSHRKDM4EALDH1A1ALOX15
SCHEMBL7850234 0.77 KDM4E (0.41) MAPTTSHRKDM4EALDH1A1ALOX15
SCHEMBL8324829 0.73 KMT2A (0.49) MAPTTSHRKDM4EALDH1A1ALOX15
SCHEMBL31527373 0.72 METAP1 (0.42) L3MBTL1METAP1ATRNPSR1
SCHEMBL15264820 0.70 ATR (0.48) METAP1KMT2AATRNPSR1GAA
SCHEMBL30206064 0.69 KDM4E (0.43) MAPTTSHRKDM4EALDH1A1ALOX15
SCHEMBL3580632 0.69 KDM4E (0.43) MAPTTSHRKDM4EALDH1A1ALOX15
SCHEMBL7847810 0.68 GRM5 (0.37)
SCHEMBL750400 0.67 KDM4E (0.39) MAPTTSHRKDM4EALDH1A1ALOX15

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
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-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed