SCHEMBL7736217

SCHEMBL7736217

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2CNC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.43
PTPN2 P17706 5/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
FLT3 P36888 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.37
THRB P10828 1/20 0.37
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5837796 0.88 PTPN1 (0.46) PTPN1PTPN2ALDH1A1MEN1KMT2A
SCHEMBL5846085 0.86 BCHE (0.41) BCHEACHEMAPTTP53FLT3
SCHEMBL5846091 0.86 BCHE (0.41) BCHEACHEMAPTTP53FLT3
SCHEMBL7524893 0.83 PTPN1 (0.45) PTPN1PTPN2BCHEACHEMAPT
SCHEMBL5837772 0.82 PTPN1 (0.47) PTPN1PTPN2MAPTKMT2AL3MBTL1
SCHEMBL5837693 0.81 KMT2A (0.46) PTPN1PTPN2MAPTTP53ALDH1A1
SCHEMBL5837651 0.80 DRD4 (0.46) PTPN1PTPN2MAPTALDH1A1HPGD
SCHEMBL5838423 0.79 MEN1 (0.44) PTPN1PTPN2ACHETP53MEN1
SCHEMBL5837592 0.79 PTPN1 (0.50) PTPN1PTPN2MAPTMEN1KMT2A
SCHEMBL5837558 0.78 PTPN1 (0.42) PTPN1PTPN2ALDH1A1KMT2AKDM4E

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-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US claimed