SCHEMBL5838602

SCHEMBL5838602

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1C(=O)c3cccc(OCc4ccccc4)c3C1=O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
GRM6 O15303 1/20 0.33
GHSR Q92847 1/20 0.32
P2RX3 P56373 2/20 0.32
KLK7 P49862 1/20 0.32
NT5E P21589 1/20 0.31
CRBN Q96SW2 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6049995 0.87 ADORA1 (0.43) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5837710 0.87 ADORA1 (0.43) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5837455 0.84 GHSR (0.38) ADORA1LMNAHTTGHSRKLK7
SCHEMBL5838565 0.82 ADORA1 (0.47) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5838374 0.79 GHSR (0.40) LMNAHTTGHSRKLK7CRBN
SCHEMBL5838331 0.78 NT5E (0.38) KMT2ANT5EPARP1
SCHEMBL6049849 0.78 NT5E (0.38) KMT2ANT5EPARP1
SCHEMBL6050008 0.78 ADORA1 (0.41) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5839237 0.78 ADORA1 (0.41) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL7211157 0.77 POLB (0.45) ADORA1MAPTMEN1KMT2ALMNA

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-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