SCHEMBL7711204

SCHEMBL7711204

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
STS P08842 4/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
BLM P54132 1/20 0.38

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
SCHEMBL7713596 0.85 NPC1 (0.51) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL17460993 0.82 NPC1 (0.49) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL9923605 0.82 NPC1 (0.49) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL7705128 0.81 MAPT (0.40) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL28510951 0.80 ALDH1A1 (0.47) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL12926231 0.80 MAPT (0.46) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL6931905 0.78 ELANE (0.51) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL7259849 0.78 ELANE (0.51) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL13289665 0.77 POLB (0.43) MAPTPOLBSTSAPEX1HTT
SCHEMBL7775226 0.77 ELANE (0.51) NPC1MAPTRAB9APOLBSMN1; 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