SCHEMBL5837553

SCHEMBL5837553

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CO)N(C(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.46
MAPT P10636 12/20 0.38
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 7/20 0.38
RAD52 P43351 1/20 0.38
GRM6 O15303 1/20 0.38
HPGD P15428 7/20 0.37
GAA P10253 5/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ANO1 Q5XXA6 1/20 0.34

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
SCHEMBL6049948 0.91 ADORA1 (0.51) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL5837548 0.91 ADORA1 (0.51) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL5838237 0.83 ADORA1 (0.46) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL5837958 0.80 ADORA1 (0.48) ADORA1MAPTKDM4EGRM6GAA
SCHEMBL7520724 0.79 ADORA1 (0.45) ADORA1MAPTALDH1A1GRM6HPGD
SCHEMBL5837408 0.78 ADORA1 (0.51) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL5838794 0.78 ADORA1 (0.51) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL7528917 0.77 KDM4E (0.46) ADORA1MAPTALDH1A1KDM4EGRM6
SCHEMBL5839242 0.76 GRM6 (0.43) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL5838020 0.76 ADORA1 (0.49) ADORA1MAPTALDH1A1KDM4ERAD52

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 1 patent. 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