SCHEMBL8990011

SCHEMBL8990011

C=CCOCC(=O)OOC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL8063307 0.78 TDP1 (0.40) TDP1TSHRCA1CA2CA7
SCHEMBL7772546 0.77
SCHEMBL12723411 0.76
SCHEMBL5873282 0.74 TDP1 (0.61) TDP1TSHRMEN1KMT2ACA1
SCHEMBL6856668 0.74 TDP1 (0.43) TDP1TSHRMEN1POLBKMT2A
SCHEMBL1471358 0.73 TDP1 (0.51) TDP1TSHRMEN1POLBKMT2A
SCHEMBL8063306 0.72 TDP1 (0.59) TDP1TSHRMEN1KMT2ACA1
SCHEMBL933075 0.72 TDP1 (0.42) TDP1TSHRMEN1POLBKMT2A
SCHEMBL555029 0.72
SCHEMBL10225098 0.71 TDP1 (0.37) TDP1TSHRMEN1POLBKMT2A

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-5504107-A ANTICOAGULANTS, PREVENTING ATHEROSCLEROSIS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed