SCHEMBL8089850

SCHEMBL8089850

O=C(O)CCCCC(N1C(=O)CCC1=O)C(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.33
PTGER3 P43115 6/20 0.33
PTGER2 P43116 5/20 0.33
GSTK1 Q9Y2Q3 2/20 0.32
ENPEP Q07075 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL471957 0.72 PTGER4 (0.31) PTGER4PTGER3PTGER2
SCHEMBL27165392 0.72 KMT2A (0.34) PTGER4PTGER3PTGER2GSTK1ENPEP
SCHEMBL30773222 0.71 ALDH1A1 (0.49) PTGER4PTGER3PTGER2GSTK1ENPEP
SCHEMBL949638 0.71 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL4310967 0.70 GSTK1 (0.37) PTGER4PTGER3PTGER2GSTK1ENPEP
SCHEMBL846234 0.70 ALDH1A1 (0.47) PTGER4PTGER3PTGER2GSTK1HDAC3
SCHEMBL17821007 0.70 ALDH1A1 (0.47) PTGER4PTGER3PTGER2GSTK1HDAC3
Ethylene Glycol SCHEMBL31079756 0.70 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL826505 0.69 LMNA (0.39) PTGER4PTGER3PTGER2GSTK1MEN1
SCHEMBL825651 0.69 LMNA (0.39) PTGER4PTGER3PTGER2GSTK1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856055-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-08-05 EP claimed
WO-1997011183-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1997-03-27 WO claimed
US-6022951-A MODIFIED ANTIBIOTIC PEPTIDE FOR INCREASED OR DECREASED SENSITIVITY TO BIOTIN, AND METHODS FOR UTILIZING THESE PROTEINS IN DETECTION, ISOLATION AND PURIFICATION TECHNIQUES U.S. DEPARTMENT OF ENERGY 2000-02-08 US disclosed
EP-0856055-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-08-05 EP disclosed
WO-1997011183-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1997-03-27 WO disclosed