SCHEMBL8575820

SCHEMBL8575820

CCOC(=O)C1(OC(C)=O)CCCC(OC)C1.Cc1cc(C)cc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL8578006 0.86 ACACB (0.33) ACACBSLC6A4SMN1; SMN2MEN1KMT2A
SCHEMBL8576880 0.83 GPR35 (0.34) SLC6A4SLC6A3MEN1KMT2AKDM4E
SCHEMBL8575814 0.83 MEN1 (0.33) SLC6A4SLC6A3SMN1; SMN2MEN1KMT2A
SCHEMBL8579832 0.79 CHRM2 (0.34) ACACBSLC6A4SMN1; SMN2OPRM1
SCHEMBL8577169 0.78 SMN1; SMN2 (0.34) SLC6A4SLC6A3SMN1; SMN2MEN1KMT2A
SCHEMBL8576766 0.76 SMN1; SMN2 (0.34) ACACBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8576677 0.76 ACACB (0.35) ACACBOPRM1
SCHEMBL8578652 0.76 CNR2 (0.32) ACACBOPRM1
SCHEMBL8579077 0.74 KDM4E (0.39) SLC6A4SLC6A3SMN1; SMN2MEN1KMT2A
SCHEMBL8576660 0.74 KMT2A (0.41) SLC6A4SLC6A3SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719310-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed