SCHEMBL8021884

SCHEMBL8021884

C=CCOc1ccc(C(=O)Oc2ccc(OC(=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL8026374 0.87 NPC1 (0.52) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL7619158 0.87 NPC1 (0.52) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL7777073 0.86 ADRB2 (0.44) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL7775451 0.86 NPC1 (0.49) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL7775472 0.86 ADRB2 (0.44) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL7775740 0.85 ADRB2 (0.43) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL8024359 0.85 NPC1 (0.44) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL5729777 0.84 PARP10 (0.53) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL7776919 0.84 PARP10 (0.57) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL8861912 0.84 ALDH1A1 (0.56) ADRB2ADRB1ADRB3NPC1MAPT

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-6040411-A Low glass temperature organosiloxanes CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-03-21 US disclosed