SCHEMBL11832151

SCHEMBL11832151

C#CCOC(=O)COC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 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
SCHEMBL585989 0.84
SCHEMBL10011897 0.80 GSTP1 (0.40) GSTP1NPC1POLBL3MBTL1TSHR
SCHEMBL10010450 0.79
SCHEMBL4675167 0.78 GSTP1 (0.39) GSTP1NPC1L3MBTL1TSHRALDH1A1
SCHEMBL4675162 0.78 GSTP1 (0.39) GSTP1NPC1POLBL3MBTL1TSHR
SCHEMBL4678906 0.77 L3MBTL1 (0.41) GSTP1NPC1POLBL3MBTL1TSHR
SCHEMBL7814840 0.77 GSTP1 (0.38) GSTP1NPC1POLBL3MBTL1TSHR
SCHEMBL29930231 0.76
SCHEMBL18766964 0.76 TSHR (0.41) GSTP1NPC1POLBL3MBTL1TSHR
SCHEMBL10835961 0.75 GSTP1 (0.37) GSTP1NPC1POLBL3MBTL1TSHR

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-3932448-A FUNGICIDES, MITICIDES E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 US disclosed