SCHEMBL5837455

SCHEMBL5837455

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2CN1C(=O)c2cccc(OCc3ccccc3)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.38
HTT P42858 1/20 0.37
KEAP1 Q14145 9/20 0.36
NFE2L2 Q16236 2/20 0.36
ADORA1 P30542 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
KLK7 P49862 1/20 0.33

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
SCHEMBL5837554 0.87 ADORA1 (0.40) KEAP1NFE2L2ADORA1SMN1; SMN2ALDH1A1
SCHEMBL5838602 0.84 ADORA1 (0.36) GHSRHTTADORA1ALDH1A1LMNA
SCHEMBL5838374 0.78 GHSR (0.40) GHSRHTTKEAP1SMN1; SMN2LMNA
SCHEMBL7519817 0.78 ADORA1 (0.42) GHSRADORA1ALDH1A1LMNAKLK7
SCHEMBL5837175 0.76 TPSAB1 (0.39) ADORA1SMN1; SMN2ALDH1A1
SCHEMBL5837464 0.76 ADORA1 (0.35) GHSRHTTADORA1LMNA
SCHEMBL5768500 0.74 GRM6 (0.37) KEAP1NFE2L2ADORA1LMNA
SCHEMBL5769847 0.74 GRM6 (0.37) KEAP1NFE2L2ADORA1LMNA
SCHEMBL5768503 0.74 GRM6 (0.37) KEAP1NFE2L2ADORA1LMNA
SCHEMBL5838338 0.74 ALDH1A1 (0.32) ALDH1A1

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
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed