SCHEMBL5846085

SCHEMBL5846085

COc1ccc(CN2CCc3c(sc(NC4CCCCO4)c3C(=O)O)C2CNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TACR2 P21452 1/20 0.37
MAPT P10636 5/20 0.37
HDAC1 Q13547 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
AGTR1 P30556 1/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL5846091 1.00 BCHE (0.41) BCHEACHEALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7539805 0.89 NPC1 (0.42) BCHEACHEALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7736217 0.86 PTPN1 (0.43) BCHEACHEALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7694698 0.85 BCHE (0.40) BCHEACHEALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7539969 0.82 DRD4 (0.44) BCHEACHEALDH1A1KDM4EMAPT
SCHEMBL7535029 0.82 GAA (0.42) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL7558300 0.81 KMT2A (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7556319 0.81 HTR4 (0.40) BCHEACHEALDH1A1SMN1; SMN2KDM4E
SCHEMBL7562697 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7736684 0.80 HDAC1 (0.38) BCHEACHEALDH1A1L3MBTL1KDM4E

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 10 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 claimed
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO claimed
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