SCHEMBL8552387

SCHEMBL8552387

O=C(O)COCC=CCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.47
TK1 P04183 5/20 0.44
TK2 O00142 4/20 0.44
PTGS1 P23219 1/20 0.44
KIF11 P52732 1/20 0.40
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PAM P19021 1/20 0.34
SLC6A1 P30531 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8322266 1.00 DUT (0.47) DUTTK1TK2PTGS1KIF11
SCHEMBL913275 0.79 DUT (0.50) DUTTK1TK2KIF11ALOX15
SCHEMBL913276 0.79 DUT (0.50) DUTTK1TK2KIF11ALOX15
SCHEMBL12268294 0.79 DUT (0.50) DUTTK1TK2KIF11ALOX15
SCHEMBL40498 0.79 KIF11 (0.50) KIF11ALOX15CYP2C19HIF1APTGDR2
SCHEMBL28500553 0.78 DUT (0.47) DUTTK1TK2KIF11CYP2C19
SCHEMBL20974784 0.78 DUT (0.47) DUTTK1TK2KIF11CYP2C19
SCHEMBL7926252 0.78 KIF11 (0.52) DUTTK1TK2KIF11ALOX15
SCHEMBL1594763 0.77 KIF11 (0.50) DUTTK1TK2KIF11ALOX15
SCHEMBL26305210 0.77 KIF11 (0.50) DUTTK1TK2KIF11ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726243-A Mild solid-phase synthesis of aligned, branched triple-helical peptides REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-03-10 US disclosed
US-5576419-A Mild solid-phase synthesis of aligned branched triple-helical peptides REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-11-19 US disclosed