SCHEMBL8288668

SCHEMBL8288668

COC(=O)CCCC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.71
DUSP3 P51452 1/20 0.70
PTPN5 P54829 1/20 0.70
PTPN11 Q06124 1/20 0.70
RXFP1 Q9HBX9 1/20 0.69
AIP O00170 1/20 0.68
SGTA O43765 1/20 0.68
TOMM70 O94826 1/20 0.68
STIP1 P31948 1/20 0.68
PPP5C P53041 1/20 0.68
DNAJC7 Q99615 1/20 0.68
STUB1 Q9UNE7 1/20 0.68
POLB P06746 2/20 0.65
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 1/20 0.60
ALOX15 P16050 1/20 0.60
ALOX12 P18054 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RAB9A P51151 2/20 0.59

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
SCHEMBL13574989 0.90 MAPT (0.72) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8289514 0.88 AIP (0.69) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8289505 0.87 AIP (0.68) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8289822 0.85 MAPT (0.68) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8290418 0.83 MAPT (0.65) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8288667 0.83 MAPT (1.00) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8289669 0.83 HPGD (0.76) MAPTPOLBALDH1A1KDM4EALOX15
SCHEMBL8289510 0.83 ALDH1A1 (0.78) MAPTAIPSGTATOMM70STIP1
SCHEMBL10143922 0.83 MAPT (1.00) MAPTDUSP3PTPN5PTPN11RXFP1
SCHEMBL8290636 0.83 MAPT (0.64) MAPTDUSP3PTPN5PTPN11RXFP1

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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed