SCHEMBL8577363

SCHEMBL8577363

CCOC(=O)C1(OC(=O)C(Cl)c2ccccc2F)CCCCC1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
OPRM1 P35372 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 1/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8576984 0.79 OPRM1 (0.35) MEN1KMT2AOPRM1KDM4ESMN1; SMN2
SCHEMBL8575952 0.78 SMN1; SMN2 (0.35) MEN1KMT2AOPRM1KDM4ESMN1; SMN2
SCHEMBL8577357 0.78 KMT2A (0.48) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8578477 0.75 MMP1 (0.35) OPRM1KDM4ESMN1; SMN2ALDH1A1OPRD1
SCHEMBL8576908 0.73 KDM4E (0.42) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8578903 0.73 OPRM1 (0.34) OPRM1KDM4ESMN1; SMN2ALDH1A1OPRD1
SCHEMBL8575948 0.73 SMN1; SMN2 (0.34) MEN1KMT2AOPRM1KDM4ESMN1; SMN2
SCHEMBL8578564 0.72 OPRM1 (0.33) OPRM1KDM4ESMN1; SMN2ALDH1A1OPRD1
SCHEMBL8575249 0.72 KDM4E (0.32) MEN1KMT2AOPRM1KDM4ESMN1; SMN2
SCHEMBL5252341 0.72 PIN1 (0.42) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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