SCHEMBL15411648

SCHEMBL15411648

C=CCOCCOC(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL15410492 0.98 TDP1 (0.39) TDP1MEN1POLBKMT2ACA1
SCHEMBL7230308 0.82
SCHEMBL170785 0.82
SCHEMBL7241219 0.82
SCHEMBL6665330 0.82 KMT2A (0.39) TDP1MEN1KMT2ATP53HSD17B10
Hydrochloric Acid SCHEMBL8686471 0.80 TDP1 (0.37) TDP1MEN1KMT2AALDH1A1TP53
Hydrochloric Acid SCHEMBL8686474 0.80 TDP1 (0.37) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL7242418 0.79 TSHR (0.36) TDP1CA2ALDH1A1TSHR
Acetic Acid SCHEMBL1325283 0.79 TDP1 (0.36) TDP1MEN1KMT2AALDH1A1TSHR
Bicarbonate SCHEMBL10762215 0.77 POLB (0.43) TDP1MEN1POLBKMT2ACA1

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-9078956-B2 Modification of biomedical polymers for prevention of fouling and clotting ECONOUS SYSTEMS INC. (CA) 2015-07-14 US disclosed
US-20140018463-A1 MODIFICATION OF BIOMEDICAL POLYMERS FOR PREVENTION OF FOULING AND CLOTTING ECONOUS SYSTEMS INC. (CA) 2014-01-16 US disclosed