SCHEMBL3637853

SCHEMBL3637853

C#CCOC1=CCC[CH]C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSTP1 P09211 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3341839 0.64
SCHEMBL3634950 0.63 POLB (0.34) POLBMAPK1HSD17B10
SCHEMBL3341155 0.60
SCHEMBL3204571 0.58 GSTP1 (0.52) POLBMAPK1HSD17B10GSTP1CA12
SCHEMBL5704167 0.58 CA12 (0.63) POLBMAPK1HSD17B10GSTP1CA12
SCHEMBL13084845 0.57 LMNA (0.37) POLBMAPK1HSD17B10GSTP1
SCHEMBL7714332 0.57
Hydrochloric Acid SCHEMBL21694040 0.57 CA12 (0.61) POLBMAPK1HSD17B10GSTP1CA12
SCHEMBL19543259 0.55 NQO1 (0.64) GSTP1CA12CA1CA2CA4
SCHEMBL10347560 0.55 MAPT (0.56) POLBMAPK1HSD17B10CA12CA2

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
EP-2162429-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-03-17 EP disclosed
WO-2009005110-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 WO disclosed