SCHEMBL5836667

SCHEMBL5836667

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C(=O)N1Cc3ccncc3C1=O)OC2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSPO P30536 1/20 0.32
HPGD P15428 1/20 0.32
RAB7A P51149 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
STING1 Q86WV6 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
SCHEMBL6314287 0.90 CXCR2 (0.41) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838447 0.86 CXCR2 (0.39) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838257 0.86 CXCR2 (0.39) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6316317 0.85 CXCR2 (0.35) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5837750 0.85 GABRA1 (0.35) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6322122 0.84 RAB7A (0.42) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5837587 0.84 CXCR2 (0.34) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838623 0.83 CXCR2 (0.38) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838560 0.83 CXCR2 (0.37) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5837570 0.82 ALDH1A1 (0.35) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2

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
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed