SCHEMBL8024359

SCHEMBL8024359

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 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
SCHEMBL7777073 0.93 ADRB2 (0.44) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7775740 0.90 ADRB2 (0.43) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL8009962 0.89 NPC1 (0.49) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7770715 0.87 NPC1 (0.51) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7776932 0.86 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7775414 0.86 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7619158 0.86 NPC1 (0.52) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL8026374 0.86 NPC1 (0.52) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7775472 0.85 ADRB2 (0.44) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7775451 0.85 NPC1 (0.49) NPC1MAPTRAB9AADRB2ADRB1

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