SCHEMBL7705118

SCHEMBL7705118

C=CCOc1ccc(C(=O)OC2CCC(C(=O)CCCCCBr)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
PTPN2 P17706 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTPN1 P18031 2/20 0.36
STS P08842 4/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL7705113 1.00 MAPT (0.42) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL28510951 0.79 ALDH1A1 (0.47) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL7713596 0.79 NPC1 (0.51) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL17460993 0.77 NPC1 (0.49) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL9923605 0.77 NPC1 (0.49) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL7775226 0.76 ELANE (0.51) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL7705128 0.76 MAPT (0.40) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL7711204 0.75 NPC1 (0.47) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL12926231 0.74 MAPT (0.46) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL8024359 0.73 NPC1 (0.44) MAPTNPC1RAB9APOLBSMN1; SMN2

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-6358574-B1 CROSSLINKED POLYSILOXANES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-03-19 US disclosed