SCHEMBL13574989

SCHEMBL13574989

CC1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(N)=O)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
AIP O00170 1/20 0.69
SGTA O43765 1/20 0.69
TOMM70 O94826 1/20 0.69
STIP1 P31948 1/20 0.69
PPP5C P53041 1/20 0.69
DNAJC7 Q99615 1/20 0.69
STUB1 Q9UNE7 1/20 0.69
RXFP1 Q9HBX9 1/20 0.68
HPGD P15428 5/20 0.67
LMNA P02545 1/20 0.67
DUSP3 P51452 1/20 0.65
PTPN5 P54829 1/20 0.65
PTPN11 Q06124 1/20 0.65
POLB P06746 2/20 0.63
ALDH1A1 P00352 6/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
HTT P42858 1/20 0.59
REV1 Q9UBZ9 1/20 0.56

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
SCHEMBL8289822 0.93 MAPT (0.68) MAPTAIPSGTATOMM70STIP1
SCHEMBL8288668 0.90 MAPT (0.71) MAPTAIPSGTATOMM70STIP1
SCHEMBL8289514 0.89 AIP (0.69) MAPTAIPSGTATOMM70STIP1
SCHEMBL8289505 0.88 AIP (0.68) MAPTAIPSGTATOMM70STIP1
SCHEMBL8290418 0.84 MAPT (0.65) MAPTAIPSGTATOMM70STIP1
SCHEMBL8288667 0.84 MAPT (1.00) MAPTAIPSGTATOMM70STIP1
SCHEMBL8290636 0.83 MAPT (0.64) MAPTAIPSGTATOMM70STIP1
SCHEMBL3914076 0.83 MAPT (0.73) MAPTAIPSGTATOMM70STIP1
SCHEMBL8289709 0.83 MAPT (0.69) MAPTAIPSGTATOMM70STIP1
SCHEMBL8289715 0.82 MAPT (0.67) MAPTAIPSGTATOMM70STIP1

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-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed