SCHEMBL7713596

SCHEMBL7713596

C=CCOc1ccc(C(=O)O[C@H]2CC[C@H](O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
STS P08842 4/20 0.43
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9923605 0.87 NPC1 (0.49) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL17460993 0.87 NPC1 (0.49) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL7711204 0.85 NPC1 (0.47) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL12926231 0.84 MAPT (0.46) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL19010371 0.82 STS (0.40) STSMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28510951 0.82 ALDH1A1 (0.47) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL7775226 0.81 ELANE (0.51) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL19000204 0.80 THRB (0.45) POLBSTSALDH1A1L3MBTL1
SCHEMBL7705118 0.79 MAPT (0.42) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL7705113 0.79 MAPT (0.42) 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